 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104095/Gau-32368.inp" -scrdir="/scratch/9104095/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32377.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer02_B3LYP_def2SVPD
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer02_B3LYP_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:48:38 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H(Iso=2)              1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H(Iso=2)              1.07404  -1.60128   1.01424 
 H                    -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1           2           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   2.0141018   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           1           2           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.8574380   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           2           1           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   2.0141018   1.0078250   2.0141018
 NucSpn=           2           1           1           1           2           1           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   0.8574380   2.7928460   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.0468165           3.7704875           3.6505199
 Leave Link  202 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   206 symmetry adapted cartesian basis functions of A   symmetry.
 There are   196 symmetry adapted basis functions of A   symmetry.
   196 basis functions,   280 primitive gaussians,   206 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0222213832 Hartrees.
 Nuclear repulsion after empirical dispersion term =      198.5720799793 Hartrees.
 Leave Link  301 at Thu Jan 27 11:48:39 2022, MaxMem=  5368709120 cpu:               5.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   196 RedAO= T EigKep=  1.86D-05  NBF=   196
 NBsUse=   196 1.00D-06 EigRej= -1.00D+00 NBFU=   196
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   206   206   206   206   206 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer02_B3LYP_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:48:40 2022, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368620381 LenY=  5368577504
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.662137906500    
 DIIS: error= 6.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.662137906500     IErMin= 1 ErrMin= 6.46D-03
 ErrMax= 6.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-03 BMatP= 3.59D-03
 IDIUse=3 WtCom= 9.35D-01 WtEn= 6.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.347 Goal=   None    Shift=    0.000
 GapD=    0.347 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.89D-03 MaxDP=6.62D-01              OVMax= 1.12D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.87D-03    CP:  1.17D+00
 E= -197.665276418145     Delta-E=       -0.003138511644 Rises=F Damp=F
 DIIS: error= 4.21D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.665276418145     IErMin= 2 ErrMin= 4.21D-04
 ErrMax= 4.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-05 BMatP= 3.59D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.21D-03
 Coeff-Com:  0.204D-02 0.998D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.203D-02 0.998D+00
 Gap=     0.338 Goal=   None    Shift=    0.000
 RMSDP=4.33D-04 MaxDP=4.96D-02 DE=-3.14D-03 OVMax= 2.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.77D-04    CP:  1.18D+00  1.04D+00
 E= -197.665272399091     Delta-E=        0.000004019054 Rises=F Damp=F
 DIIS: error= 5.53D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -197.665276418145     IErMin= 2 ErrMin= 4.21D-04
 ErrMax= 5.53D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.76D-05 BMatP= 2.79D-05
 IDIUse=3 WtCom= 2.98D-01 WtEn= 7.02D-01
 Coeff-Com: -0.703D-02 0.543D+00 0.464D+00
 Coeff-En:   0.000D+00 0.528D+00 0.472D+00
 Coeff:     -0.210D-02 0.533D+00 0.469D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=9.58D-05 MaxDP=1.01D-02 DE= 4.02D-06 OVMax= 1.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.43D-05    CP:  1.18D+00  1.03D+00  6.91D-01
 E= -197.665312238901     Delta-E=       -0.000039839810 Rises=F Damp=F
 DIIS: error= 5.48D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.665312238901     IErMin= 4 ErrMin= 5.48D-05
 ErrMax= 5.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.95D-07 BMatP= 2.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.216D-02 0.543D-01 0.109D+00 0.839D+00
 Coeff:     -0.216D-02 0.543D-01 0.109D+00 0.839D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=1.48D-05 MaxDP=9.46D-04 DE=-3.98D-05 OVMax= 2.12D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.15D-06    CP:  1.18D+00  1.04D+00  7.12D-01  9.07D-01
 E= -197.665312536475     Delta-E=       -0.000000297575 Rises=F Damp=F
 DIIS: error= 3.33D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.665312536475     IErMin= 5 ErrMin= 3.33D-05
 ErrMax= 3.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-07 BMatP= 3.95D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.821D-03-0.811D-03 0.314D-01 0.466D+00 0.504D+00
 Coeff:     -0.821D-03-0.811D-03 0.314D-01 0.466D+00 0.504D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=5.15D-06 MaxDP=5.73D-04 DE=-2.98D-07 OVMax= 8.13D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.35D-06    CP:  1.18D+00  1.04D+00  7.14D-01  9.42D-01  6.54D-01
 E= -197.665312673774     Delta-E=       -0.000000137299 Rises=F Damp=F
 DIIS: error= 1.73D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.665312673774     IErMin= 6 ErrMin= 1.73D-06
 ErrMax= 1.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.57D-10 BMatP= 1.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-04-0.119D-02-0.189D-02 0.221D-01 0.574D-01 0.924D+00
 Coeff:     -0.356D-04-0.119D-02-0.189D-02 0.221D-01 0.574D-01 0.924D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.96D-07 MaxDP=2.69D-05 DE=-1.37D-07 OVMax= 3.76D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.51D-07    CP:  1.18D+00  1.04D+00  7.13D-01  9.46D-01  6.78D-01
                    CP:  1.06D+00
 E= -197.665312674250     Delta-E=       -0.000000000476 Rises=F Damp=F
 DIIS: error= 1.83D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.665312674250     IErMin= 7 ErrMin= 1.83D-07
 ErrMax= 1.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-12 BMatP= 4.57D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-05-0.208D-03-0.674D-03-0.104D-02 0.662D-02 0.175D+00
 Coeff-Com:  0.821D+00
 Coeff:      0.195D-05-0.208D-03-0.674D-03-0.104D-02 0.662D-02 0.175D+00
 Coeff:      0.821D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=6.87D-08 MaxDP=8.84D-06 DE=-4.76D-10 OVMax= 3.49D-07

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.70D-08    CP:  1.18D+00  1.04D+00  7.13D-01  9.45D-01  6.78D-01
                    CP:  1.04D+00  8.77D-01
 E= -197.665312674258     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 1.78D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.665312674258     IErMin= 8 ErrMin= 1.78D-08
 ErrMax= 1.78D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.65D-14 BMatP= 3.29D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.812D-06-0.527D-05-0.301D-04-0.522D-03-0.134D-03 0.495D-02
 Coeff-Com:  0.102D+00 0.893D+00
 Coeff:      0.812D-06-0.527D-05-0.301D-04-0.522D-03-0.134D-03 0.495D-02
 Coeff:      0.102D+00 0.893D+00
 Gap=     0.337 Goal=   None    Shift=    0.000
 RMSDP=4.34D-09 MaxDP=2.17D-07 DE=-8.19D-12 OVMax= 6.43D-08

 SCF Done:  E(RB3LYP) =  -197.665312674     A.U. after    8 cycles
            NFock=  8  Conv=0.43D-08     -V/T= 2.0132
 KE= 1.950982081673D+02 PE=-8.522127658160D+02 EE= 2.608771649951D+02
 Leave Link  502 at Thu Jan 27 11:49:01 2022, MaxMem=  5368709120 cpu:             165.2 elap:              20.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   196
 NBasis=   196 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    196 NOA=    21 NOB=    21 NVA=   175 NVB=   175

 **** Warning!!: The largest alpha MO coefficient is  0.11565385D+03

 Leave Link  801 at Thu Jan 27 11:49:01 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5144 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.12D-14 8.33D-09 XBig12= 1.00D+00 2.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.12D-14 8.33D-09 XBig12= 9.61D-02 8.25D-02.
     11 vectors produced by pass  2 Test12= 6.12D-14 8.33D-09 XBig12= 1.58D-02 1.94D-02.
     11 vectors produced by pass  3 Test12= 6.12D-14 8.33D-09 XBig12= 1.01D-03 7.43D-03.
     11 vectors produced by pass  4 Test12= 6.12D-14 8.33D-09 XBig12= 1.14D-05 1.15D-03.
     11 vectors produced by pass  5 Test12= 6.12D-14 8.33D-09 XBig12= 1.02D-07 6.79D-05.
     11 vectors produced by pass  6 Test12= 6.12D-14 8.33D-09 XBig12= 4.30D-10 3.46D-06.
     10 vectors produced by pass  7 Test12= 6.12D-14 8.33D-09 XBig12= 8.20D-13 2.16D-07.
      3 vectors produced by pass  8 Test12= 6.12D-14 8.33D-09 XBig12= 2.06D-15 1.00D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension    90 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.660165D+02
      2  0.723682D-04  0.660159D+02
      3  0.346372D-03 -0.260924D-03  0.660163D+02
 Isotropic polarizability for W=    0.085645       66.02 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.409100D+00  0.179777D-01  0.146429D+01
      2   0.183079D+01 -0.113739D+01 -0.542391D+00
      3  -0.142169D+01  0.111941D+01 -0.921902D+00
      4   0.164374D-01  0.183092D+01  0.195637D+01
      5   0.146483D+01  0.195640D+01 -0.141976D+01
      6   0.195680D+01 -0.541437D+00  0.111684D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.614238D-03  0.229431D-02 -0.242309D-03
      2  -0.262497D-02  0.167937D-03 -0.961557D-04
      3  -0.825376D-03  0.844624D-03  0.199790D-03
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.275305D-04  0.954415D-03  0.257705D-02
      2  -0.533130D-03 -0.426835D-03  0.192632D-02
      3  -0.154030D-02 -0.130615D-03  0.399304D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.190746D-03  0.135326D-03  0.396514D-03
      2   0.135326D-03 -0.313933D-03  0.373456D-04
      3   0.396514D-03  0.373456D-04 -0.123324D-03
 OR G Eigenvalues:    -0.0004    -0.0003     0.0005  Iso=     0.0001
 Eigenvectors:
   (1)  -0.552296   0.475807   0.684527
   (2)   0.147382   0.863917  -0.481587
   (3)   0.820517   0.165092   0.547263
 w=    0.085645 a.u., Optical Rotation Beta=      0.0001 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =        0.05 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   19306 ScalPx= 1.86D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.01D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.02D-14 2.78D-09 XBig12= 1.00D+00 5.14D-01.
     30 vectors produced by pass  1 Test12= 1.02D-14 2.78D-09 XBig12= 1.46D-02 3.81D-02.
     30 vectors produced by pass  2 Test12= 1.02D-14 2.78D-09 XBig12= 1.37D-03 7.19D-03.
     30 vectors produced by pass  3 Test12= 1.02D-14 2.78D-09 XBig12= 2.65D-05 1.43D-03.
     30 vectors produced by pass  4 Test12= 1.02D-14 2.78D-09 XBig12= 3.91D-07 1.17D-04.
     30 vectors produced by pass  5 Test12= 1.02D-14 2.78D-09 XBig12= 5.08D-10 5.05D-06.
     13 vectors produced by pass  6 Test12= 1.02D-14 2.78D-09 XBig12= 1.18D-12 1.66D-07.
      1 vectors produced by pass  7 Test12= 1.02D-14 2.78D-09 XBig12= 1.41D-15 8.18D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   194 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 5.12D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   19306 ScalPx= 5.12D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   19306 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.65D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.723682D-04  0.346372D-03
      2   0.723682D-04  0.660159D+02 -0.260924D-03
      3   0.346372D-03 -0.260924D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.614238D-03  0.229431D-02 -0.242309D-03
      2  -0.262497D-02  0.167937D-03 -0.961557D-04
      3  -0.825376D-03  0.844624D-03  0.199790D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.409100D+00  0.179777D-01  0.146429D+01
      2   0.183079D+01 -0.113739D+01 -0.542391D+00
      3  -0.142169D+01  0.111941D+01 -0.921902D+00
      4   0.164374D-01  0.183092D+01  0.195637D+01
      5   0.146483D+01  0.195640D+01 -0.141976D+01
      6   0.195680D+01 -0.541437D+00  0.111684D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.107913D+01  0.644606D-01  0.391326D+01  0.629463D-01  0.488316D+01
      2   0.644606D-01  0.488173D+01  0.523517D+01  0.488316D+01 -0.303841D+01
      3   0.391326D+01  0.523517D+01 -0.379675D+01  0.522610D+01 -0.145797D+01
                 6             7             8             9            10 
      1   0.522610D+01  0.390845D+01  0.522892D+01 -0.379310D+01 -0.891704D+00
      2  -0.145797D+01  0.522892D+01 -0.145728D+01  0.297787D+01 -0.812247D-01
      3   0.297890D+01 -0.379310D+01  0.297787D+01 -0.244659D+01 -0.270880D+01
                11            12            13            14            15 
      1  -0.812247D-01 -0.270880D+01  0.194514D+00 -0.470696D+01 -0.403101D+01
      2  -0.369413D+01 -0.403338D+01 -0.470696D+01  0.142302D+01  0.202243D+01
      3  -0.403338D+01  0.324538D+01 -0.403101D+01  0.202243D+01 -0.200797D+01
                16            17            18            19            20 
      1  -0.353490D+01 -0.403127D+01  0.223429D+01  0.246412D+01  0.319037D+00
      2  -0.403127D+01  0.119302D+01 -0.228866D+01  0.319037D+00 -0.394293D+01
      3   0.223429D+01 -0.228866D+01  0.343979D+01 -0.255492D+01 -0.424696D+01
                21            22            23            24            25 
      1  -0.255492D+01 -0.497456D+00 -0.308018D+01 -0.424458D+01 -0.315891D+01
      2  -0.424696D+01 -0.308018D+01  0.386328D+01  0.136301D+01 -0.424518D+01
      3   0.260649D+01 -0.424458D+01  0.136301D+01 -0.227196D+01  0.346797D+01
                26            27            28            29            30 
      1  -0.424518D+01  0.346797D+01  0.224935D+01 -0.970075D+00 -0.309787D+01
      2   0.751574D+00 -0.145166D+01 -0.970075D+00 -0.424584D+01 -0.403838D+01
      3  -0.145166D+01  0.321056D+01 -0.309787D+01 -0.403838D+01  0.281850D+01
                31            32            33            34            35 
      1   0.161096D+00 -0.361881D+01 -0.403954D+01 -0.276123D+01 -0.403914D+01
      2  -0.361881D+01  0.640902D+00  0.109888D+01 -0.403914D+01  0.143893D+01
      3  -0.403954D+01  0.109888D+01 -0.229569D+01  0.345061D+01 -0.342955D+01
                36            37            38            39            40 
      1   0.345061D+01 -0.426503D+00  0.554554D+00 -0.392393D+01 -0.360578D-01
      2  -0.342955D+01  0.554554D+00 -0.345476D+01 -0.412074D+01 -0.393923D+01
      3   0.865957D+00 -0.392393D+01 -0.412074D+01  0.325474D+01 -0.411792D+01
                41            42            43            44            45 
      1  -0.393923D+01 -0.411792D+01 -0.282617D+01 -0.411983D+01  0.276646D+01
      2   0.359894D+01  0.909304D-01 -0.411983D+01  0.119280D+01 -0.219264D+01
      3   0.909304D-01 -0.278892D+01  0.276646D+01 -0.219264D+01  0.174564D+00
                46            47            48            49            50 
      1  -0.726441D+00  0.460703D+00 -0.652725D+00  0.683955D+00  0.278529D+00
      2   0.460703D+00 -0.512313D+00  0.102359D+01  0.278529D+00  0.189379D+01
      3  -0.652725D+00  0.102359D+01 -0.220563D+01  0.356487D+00 -0.216643D+01
                51            52            53            54            55 
      1   0.356487D+00 -0.994331D+00  0.402455D+00 -0.340373D+00  0.328510D+01
      2  -0.216643D+01  0.402455D+00 -0.204715D+01  0.260710D+01 -0.187291D+01
      3   0.280920D+01 -0.340373D+00  0.260710D+01 -0.720885D+01 -0.106388D+01
                56            57            58            59            60 
      1  -0.187291D+01 -0.106388D+01 -0.326825D+01  0.287047D+01  0.180232D+01
      2   0.212254D+01  0.106994D+01  0.287047D+01 -0.452095D+01 -0.175940D+01
      3   0.106994D+01  0.845483D+00  0.180232D+01 -0.175940D+01 -0.190356D+01
                61            62            63            64            65 
      1  -0.696688D+00  0.998889D+00  0.968364D+00  0.509018D+01  0.247070D+01
      2   0.998889D+00 -0.112214D+01 -0.955653D+00  0.247070D+01  0.242246D+01
      3   0.968364D+00 -0.955653D+00 -0.176381D+01  0.870275D+00  0.734056D+00
                66            67            68            69            70 
      1   0.870275D+00  0.308336D+01  0.289770D+01  0.668899D+00  0.249618D+01
      2   0.734056D+00  0.289770D+01  0.314725D+01  0.379660D+00  0.142274D+01
      3   0.785242D+00  0.668899D+00  0.379660D+00  0.118829D+01  0.808188D+00
                71            72            73            74            75 
      1   0.142274D+01  0.808188D+00 -0.235007D+01  0.327662D+00 -0.169762D+01
      2   0.127769D+01  0.100204D+01  0.327662D+00 -0.241984D+00  0.666420D+00
      3   0.100204D+01  0.926270D+00 -0.169762D+01  0.666420D+00 -0.224196D+01
                76            77            78            79            80 
      1   0.134610D+01 -0.344154D+00  0.139410D+01 -0.215232D+01  0.591587D+00
      2  -0.344154D+00  0.844108D+00 -0.122080D+01  0.591587D+00 -0.140194D+01
      3   0.139410D+01 -0.122080D+01  0.236572D+01 -0.297575D+01  0.903183D+00
                81            82            83            84            85 
      1  -0.297575D+01 -0.625664D+01 -0.196845D+01  0.194755D+01 -0.121529D+01
      2   0.903183D+00 -0.196845D+01 -0.135256D+01  0.862172D+00 -0.112326D+01
      3  -0.653695D+01  0.194755D+01  0.862172D+00 -0.187263D+01  0.804894D+00
                86            87            88            89            90 
      1  -0.112326D+01  0.804894D+00  0.354581D+01  0.155911D+01 -0.208394D+01
      2  -0.157529D+01  0.496566D+00  0.155911D+01  0.136835D+01 -0.620973D+00
      3   0.496566D+00 -0.296461D+00 -0.208394D+01 -0.620973D+00  0.190243D+01
                91            92            93            94            95 
      1   0.105646D+01 -0.123920D+01 -0.222068D+00 -0.137676D+01  0.116359D+01
      2  -0.123920D+01  0.300716D+01  0.122202D+01  0.116359D+01 -0.757723D+01
      3  -0.222068D+00  0.122202D+01  0.788412D+00  0.554222D+00 -0.222606D+01
                96            97            98            99           100 
      1   0.554222D+00 -0.154414D+00  0.600883D+00  0.170579D-01 -0.207570D+01
      2  -0.222606D+01  0.600883D+00 -0.170105D+01 -0.141577D+01  0.146619D+01
      3  -0.156519D+01  0.170579D-01 -0.141577D+01 -0.155948D+01 -0.101164D+01
               101           102           103           104           105 
      1   0.146619D+01 -0.101164D+01  0.109890D+01 -0.105745D+01  0.108775D+01
      2  -0.108009D+01  0.114806D+01 -0.105745D+01  0.310483D+01 -0.182707D+01
      3   0.114806D+01 -0.151151D+01  0.108775D+01 -0.182707D+01  0.181415D+01
               106           107           108           109           110 
      1  -0.184791D+01  0.184478D+01 -0.193262D+01  0.210602D+01  0.178322D+01
      2   0.184478D+01 -0.339571D+01  0.260481D+01  0.178322D+01  0.361595D+01
      3  -0.193262D+01  0.260481D+01 -0.413701D+01  0.130572D+01  0.166457D+01
               111           112           113           114           115 
      1   0.130572D+01  0.140405D+01  0.180009D+01  0.999949D+00  0.125282D+01
      2   0.166457D+01  0.180009D+01  0.489913D+01  0.184297D+01  0.104474D+01
      3   0.134896D+01  0.999949D+00  0.184297D+01  0.174600D+01  0.609196D+00
               116           117           118           119           120 
      1   0.104474D+01  0.609196D+00 -0.561312D+01  0.633151D+00  0.303792D+01
      2   0.223982D+01  0.215227D+01  0.633151D+00 -0.912310D+00  0.127454D-01
      3   0.215227D+01  0.208776D+01  0.303792D+01  0.127454D-01 -0.277302D+01
               121           122           123           124           125 
      1  -0.870226D+00 -0.368744D+00  0.739110D+00  0.325386D+01 -0.609890D-01
      2  -0.368744D+00 -0.335159D+00  0.446439D+00 -0.609890D-01  0.938825D+00
      3   0.739110D+00  0.446439D+00 -0.418581D+00 -0.286747D+01  0.640907D+00
               126           127           128           129           130 
      1  -0.286747D+01  0.246733D+01 -0.221618D+01  0.496711D+00 -0.236029D+01
      2   0.640907D+00 -0.221618D+01  0.289986D+01  0.146849D+00  0.306899D+01
      3   0.334225D+01  0.496711D+00  0.146849D+00  0.485012D+00  0.830016D-01
               131           132           133           134           135 
      1   0.306899D+01  0.830016D-01 -0.438278D+00  0.839898D+00  0.203132D+00
      2  -0.684206D+01  0.395682D+00  0.839898D+00 -0.126710D+01 -0.571252D+00
      3   0.395682D+00 -0.114942D+01  0.203132D+00 -0.571252D+00 -0.450337D+00
               136           137           138           139           140 
      1  -0.321181D+01 -0.977499D+00  0.266541D+01 -0.644355D+00 -0.473364D+00
      2  -0.977499D+00 -0.119486D+01  0.154329D+01 -0.473364D+00 -0.137786D+01
      3   0.266541D+01  0.154329D+01 -0.407637D+01  0.874048D+00  0.120688D+01
               141           142           143           144           145 
      1   0.874048D+00  0.208464D+01  0.919458D+00 -0.227782D+01  0.391257D+01
      2   0.120688D+01  0.919458D+00  0.107273D+01 -0.120085D+01  0.124586D+01
      3  -0.881288D+00 -0.227782D+01 -0.120085D+01  0.493544D+01  0.269660D+01
               146           147           148           149           150 
      1   0.124586D+01  0.269660D+01  0.223376D+01  0.174962D+01  0.184217D+01
      2   0.168207D+01  0.111057D+01  0.174962D+01  0.185172D+01  0.131426D+01
      3   0.111057D+01  0.229967D+01  0.184217D+01  0.131426D+01  0.267677D+01
               151           152           153 
      1   0.202341D+01  0.104295D+01  0.174581D+01
      2   0.104295D+01  0.918618D+00  0.123883D+01
      3   0.174581D+01  0.123883D+01  0.321802D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114656D-01  0.494625D-03  0.463333D-02  0.735341D-03 -0.152995D-01
      2   0.888904D-02  0.127591D-01  0.490748D+01  0.137896D-01  0.386834D-02
      3  -0.223003D-01 -0.490451D+01 -0.470642D-02  0.490961D+01 -0.215999D-01
                 6             7             8             9            10 
      1  -0.490585D+01  0.178573D-01  0.490495D+01 -0.746029D-02  0.114615D+01
      2   0.733930D-02 -0.490465D+01 -0.722775D-02  0.546899D-02 -0.677214D+01
      3  -0.388120D-02  0.440725D-02 -0.472895D-02 -0.123411D-01 -0.907318D+00
                11            12            13            14            15 
      1   0.654382D+01  0.359867D+01  0.817479D+01 -0.184367D+01 -0.425369D+01
      2  -0.603538D+01  0.327550D+01 -0.558765D+01 -0.256667D+01 -0.764683D+01
      3   0.412402D+01  0.488878D+01  0.981883D+01 -0.311619D+01 -0.560537D+01
                16            17            18            19            20 
      1   0.415479D+01  0.794756D+00  0.716734D+00 -0.315433D+01 -0.197462D+01
      2  -0.359156D+01 -0.819654D+01  0.932300D+01  0.632729D+01  0.602738D+01
      3   0.443664D+01 -0.398177D+01  0.404116D+01 -0.408506D+01 -0.712488D+01
                21            22            23            24            25 
      1   0.713542D+01 -0.299170D+01 -0.288307D+01 -0.541597D+01  0.850776D+01
      2  -0.356887D+01  0.505941D+01 -0.418780D+01 -0.150183D+01 -0.928116D+01
      3  -0.287119D+01 -0.820215D+00  0.974221D+01  0.718058D+01 -0.190203D+01
                26            27            28            29            30 
      1   0.169920D+00  0.602902D+01  0.436730D+01  0.448773D+01 -0.691298D+01
      2  -0.287590D+01 -0.215584D+01  0.112054D+01  0.450015D+01  0.607784D+00
      3   0.616651D+01 -0.563216D+01  0.435581D+01 -0.848489D+01 -0.886681D+01
                31            32            33            34            35 
      1   0.490151D+01 -0.232096D+01  0.329464D+01 -0.829176D+01  0.955896D+01
      2   0.375571D+01  0.741160D+00  0.451034D+01 -0.394639D+01  0.588774D+01
      3  -0.167587D+01 -0.676524D+01 -0.564507D+01 -0.812348D+01 -0.522949D+01
                36            37            38            39            40 
      1  -0.202799D+01 -0.234351D+01 -0.904803D+01 -0.384058D+01 -0.100745D+02
      2  -0.184657D+01 -0.686919D+00 -0.451041D+01  0.114269D+02 -0.325045D+01
      3   0.240536D+01  0.654338D+00 -0.260708D+00  0.685538D+01  0.442821D+01
                41            42            43            44            45 
      1   0.706304D+01 -0.537319D+01 -0.439714D+01  0.121308D+01 -0.472247D+01
      2   0.600980D+01  0.465062D+01  0.507637D+01  0.520303D+01 -0.533402D+01
      3   0.148219D+00  0.406104D+01  0.560146D+01  0.304319D+01 -0.804828D+00
                46            47            48            49            50 
      1  -0.299363D+00  0.888660D+00  0.905123D-01 -0.370761D+00 -0.215146D+01
      2  -0.272841D+01  0.173807D+01 -0.234248D+01  0.268618D+01 -0.245776D+01
      3  -0.140423D+01 -0.512702D-01 -0.144157D+01  0.141747D+01 -0.201308D+01
                51            52            53            54            55 
      1  -0.683155D-01 -0.407380D+00  0.397279D+01  0.669562D+00  0.248343D+01
      2   0.435209D+01 -0.501489D+01  0.423117D+01 -0.976094D+01  0.244583D+01
      3   0.280380D+01 -0.223789D+01  0.281490D+01 -0.383674D+01  0.271110D+01
                56            57            58            59            60 
      1  -0.370398D+01 -0.750563D+00 -0.349680D+01  0.678307D+01  0.751715D-01
      2  -0.569164D+00  0.157573D+01 -0.194150D+01  0.894707D+00 -0.184130D+01
      3  -0.557824D+01 -0.189801D+01 -0.244317D+01  0.885933D+01  0.260530D+01
                61            62            63            64            65 
      1  -0.152959D+01  0.278861D+01  0.998944D+00 -0.317040D+01 -0.285889D+01
      2  -0.760999D+00  0.420198D-01 -0.156008D+01  0.617656D+01  0.405963D+01
      3  -0.139663D+01  0.266149D+01  0.151114D+01 -0.498132D+00 -0.460271D+01
                66            67            68            69            70 
      1  -0.245886D+01 -0.323865D+01 -0.304313D+01 -0.294702D+01 -0.167302D+01
      2   0.457231D+01  0.409069D+01  0.378159D+01  0.411241D+01  0.227190D+01
      3  -0.902905D+00 -0.869213D+00 -0.416164D+01 -0.520485D+00 -0.211127D+00
                71            72            73            74            75 
      1  -0.798599D+00 -0.226399D+01 -0.203343D+01  0.196788D+01 -0.321622D+01
      2   0.282843D+01  0.320526D+01 -0.740488D+00 -0.629200D+00  0.274723D+01
      3  -0.202147D+01 -0.116594D+01  0.240527D+01 -0.200687D+01  0.264134D+01
                76            77            78            79            80 
      1   0.143439D+01 -0.312302D+01  0.244927D+01 -0.359335D+01  0.537443D+01
      2   0.513435D+00  0.124529D+01 -0.206524D+01 -0.974907D+00 -0.931079D+00
      3  -0.479455D+00  0.200136D+01 -0.266919D+01  0.255952D+01 -0.375818D+01
                81            82            83            84            85 
      1  -0.737584D+01  0.390382D+01  0.117776D+01 -0.390225D+01  0.175589D+01
      2   0.600157D+01 -0.640833D+01 -0.246019D+01  0.681680D+01 -0.202980D+01
      3   0.453941D+01  0.509608D+01 -0.187707D+01 -0.142979D+01  0.136859D+01
                86            87            88            89            90 
      1   0.128719D+01 -0.173394D+01 -0.326781D+01 -0.879842D-02  0.327400D+01
      2  -0.132290D+01  0.167023D+01  0.360402D+01  0.152979D+01 -0.544239D+01
      3  -0.102086D+01 -0.455219D+00 -0.257946D+01  0.124235D+01  0.174683D+01
                91            92            93            94            95 
      1   0.860132D+00 -0.142862D+01  0.933834D+00 -0.579198D+00  0.435334D+01
      2   0.164055D+01 -0.215085D+01  0.164949D+00 -0.287516D+01  0.370327D+01
      3  -0.391889D+01  0.342914D+01  0.129767D+01  0.644612D+01 -0.944965D+01
                96            97            98            99           100 
      1  -0.266554D+01 -0.532817D+00  0.111339D+01 -0.114500D+01  0.201305D+01
      2   0.170361D+01 -0.121740D+01  0.191871D+01  0.133911D+01  0.917029D+00
      3  -0.311292D+01  0.167189D+01 -0.283158D+01 -0.140951D+01 -0.224106D+01
               101           102           103           104           105 
      1  -0.177130D+01  0.385728D+01 -0.230777D+01  0.320660D+01 -0.555183D+01
      2  -0.155265D+01  0.306606D+01 -0.777754D+00  0.203685D+01 -0.290235D+01
      3  -0.113013D+00 -0.435693D+00  0.235935D+01  0.135827D+01  0.284787D+00
               106           107           108           109           110 
      1   0.347917D+01 -0.272216D+01  0.909691D+01 -0.129806D+01 -0.670740D-01
      2   0.185413D+00 -0.266634D+01  0.550551D+01 -0.297396D+01 -0.199868D+01
      3  -0.242655D+01 -0.967868D+00 -0.814256D+00  0.624224D+01  0.360960D+01
               111           112           113           114           115 
      1  -0.246859D+01 -0.913618D+00  0.728581D-01 -0.391098D+01 -0.515704D+00
      2  -0.256359D+00 -0.255710D+01 -0.244473D+01 -0.135196D+01 -0.255859D+01
      3   0.328973D+01  0.623898D+01  0.594298D+01  0.334830D+01  0.418947D+01
               116           117           118           119           120 
      1  -0.663937D+00 -0.282739D+01 -0.448889D+01 -0.204329D+01  0.460032D+01
      2  -0.204652D+01 -0.126082D+01  0.110525D+01 -0.361190D+00  0.330820D+01
      3   0.307537D+01  0.258690D+01 -0.780936D+01 -0.275410D+01  0.483217D+01
               121           122           123           124           125 
      1  -0.102858D+01 -0.124943D+01 -0.453355D-01  0.423662D+01  0.171223D+01
      2   0.844420D-01 -0.239525D+00  0.335602D+00 -0.852613D+00 -0.408414D+00
      3  -0.500086D+00 -0.139633D+01  0.126490D+01  0.526600D+01  0.242760D+01
               126           127           128           129           130 
      1  -0.453025D+01 -0.275331D+01  0.480272D+01  0.200106D+01  0.468581D+01
      2  -0.265433D+01 -0.293677D+01  0.323506D+01  0.127522D+01  0.364416D+01
      3  -0.384984D+01 -0.150971D+01 -0.162837D+01 -0.504718D+00  0.251872D+01
               131           132           133           134           135 
      1  -0.965928D+01 -0.378583D+01  0.112212D+01 -0.121162D+01 -0.191371D+01
      2  -0.449750D+01 -0.238031D+01 -0.177994D+00 -0.134796D+01 -0.102628D+01
      3   0.298012D+01 -0.203857D+00  0.301018D+00  0.399404D+00  0.230304D+00
               136           137           138           139           140 
      1   0.742305D+00 -0.193845D+01 -0.145611D+01  0.162243D+00 -0.138046D+01
      2   0.829196D+01  0.206098D+01 -0.415546D+01  0.221697D+01  0.120946D+01
      3   0.392603D+01 -0.494320D+00 -0.280003D+01  0.176938D+01  0.675011D+00
               141           142           143           144           145 
      1  -0.189375D+00 -0.473171D+00  0.264618D+01  0.244417D+01  0.403658D+01
      2  -0.180567D+01 -0.723109D+01 -0.217303D+01  0.545183D+01 -0.478623D+01
      3  -0.134655D+01 -0.311366D+01 -0.518358D+00  0.265683D+01 -0.299413D+01
               146           147           148           149           150 
      1   0.496521D+01  0.278443D+01  0.388556D+01  0.490367D+01  0.202081D+01
      2  -0.136633D+01 -0.414013D+00 -0.304536D+01 -0.190912D+01  0.153229D+00
      3  -0.428889D+01 -0.264928D+01 -0.147754D+01 -0.376378D+01 -0.198584D+01
               151           152           153 
      1   0.316272D+01  0.416291D+01  0.358437D+01
      2  -0.363519D+01 -0.986993D+00  0.209176D+00
      3  -0.203958D+01 -0.251738D+01 -0.219232D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.529765D+01 -0.302676D+01  0.275589D+01 -0.302116D+01 -0.221449D+01
      2  -0.222128D+01  0.323551D+01 -0.128449D+01  0.323554D+01  0.255658D+01
      3  -0.307637D+01 -0.208749D+00 -0.147141D+01 -0.214377D+00 -0.342085D+00
      4  -0.303557D+01 -0.172982D+01 -0.863023D+00 -0.171944D+01  0.325330D+01
      5   0.273878D+01 -0.868131D+00 -0.259208D+01 -0.875815D+00 -0.127662D+01
      6  -0.868710D+00 -0.129608D+01 -0.212150D+00 -0.127964D+01 -0.374869D+01
                 6             7             8             9            10 
      1  -0.867761D+00  0.275057D+01 -0.855803D+00 -0.307941D+01 -0.605228D+01
      2  -0.373957D+01 -0.127753D+01 -0.373745D+01 -0.335076D+00 -0.350004D+01
      3   0.460733D+01 -0.147304D+01  0.459326D+01  0.341448D+01  0.955232D+01
      4  -0.127747D+01 -0.858346D+00 -0.129107D+01 -0.228731D+00 -0.151334D+01
      5  -0.212224D+00 -0.258229D+01 -0.216226D+00 -0.148325D+01 -0.563392D+01
      6   0.162768D+00 -0.225542D+00  0.151649D+00  0.460231D+01 -0.404946D+01
                11            12            13            14            15 
      1  -0.446236D+01 -0.190621D+01 -0.440305D+01 -0.827359D+01 -0.143157D+02
      2  -0.615129D+01  0.351335D+01 -0.536070D+01  0.502841D+01  0.176150D+01
      3   0.106136D+02 -0.160714D+01  0.976375D+01  0.324518D+01  0.125542D+02
      4  -0.127617D+02 -0.100578D+02 -0.140286D+02  0.246275D+01  0.185291D+01
      5  -0.867561D+01  0.588608D+01 -0.959869D+01  0.711842D+01  0.299158D+01
      6   0.412890D+01  0.873815D+01  0.495678D+01 -0.380452D+01 -0.742841D+01
                16            17            18            19            20 
      1  -0.294297D+01 -0.145591D+02  0.138910D+02 -0.914511D+01 -0.934702D+01
      2   0.296212D+01  0.226448D+01 -0.101923D+01  0.273864D+01  0.654418D+01
      3  -0.191545D-01  0.122947D+02 -0.128717D+02  0.640646D+01  0.280284D+01
      4  -0.112269D+02  0.493546D+00 -0.122316D+01 -0.423454D+01  0.139030D+01
      5   0.591853D+01  0.223706D+01 -0.645092D+00  0.509108D+01  0.714729D+01
      6   0.712858D+01 -0.720227D+01  0.809733D+01  0.642456D+01  0.109797D+02
                21            22            23            24            25 
      1   0.530806D+01 -0.880646D+01  0.141386D+02  0.929654D+01  0.641027D+01
      2   0.881164D+01  0.481087D+01 -0.146017D+02 -0.113924D+02  0.792051D+01
      3  -0.141197D+02  0.399559D+01  0.463052D+00  0.209581D+01 -0.143308D+02
      4   0.109649D+02  0.224076D+01  0.308040D+01  0.461384D+01  0.120189D+02
      5  -0.619767D+01  0.753342D+01  0.388070D+01  0.833757D+01 -0.747039D+01
      6   0.330212D+00  0.968266D+01 -0.776393D+01 -0.184291D+01  0.300032D-01
                26            27            28            29            30 
      1   0.996473D+01 -0.513479D+01 -0.347995D+01  0.743431D+01  0.111818D+02
      2  -0.110072D+02  0.117768D+02  0.496537D+01 -0.947198D+01 -0.170667D+02
      3   0.104248D+01 -0.664200D+01 -0.148543D+01  0.203767D+01  0.588488D+01
      4   0.502486D+01  0.451563D+00  0.261013D+01 -0.109441D+01 -0.229580D+01
      5   0.684747D+01 -0.948131D+01  0.680011D+01  0.298481D+01 -0.106633D+02
      6  -0.121722D+01  0.857457D+00 -0.563304D+01 -0.134886D+02  0.422355D+01
                31            32            33            34            35 
      1   0.683297D+01  0.554420D+01  0.589977D+01  0.115091D+02  0.497557D+01
      2  -0.836527D+01 -0.271545D+01 -0.373411D+00 -0.169092D+02 -0.546035D-01
      3   0.153230D+01 -0.282875D+01 -0.552635D+01  0.540007D+01 -0.492096D+01
      4  -0.228358D+00 -0.102806D+02 -0.114974D+02 -0.150990D+01 -0.124364D+02
      5   0.469616D+01 -0.673267D+01  0.807100D+00 -0.109562D+02  0.225257D+01
      6  -0.123904D+02  0.226972D+01 -0.902834D+01  0.516308D+01 -0.101163D+02
                36            37            38            39            40 
      1  -0.185209D+01  0.285452D+01  0.182587D+01 -0.104249D+02  0.181153D+01
      2  -0.293002D+01  0.435166D+01  0.139940D+02  0.280588D+01  0.138357D+02
      3   0.478211D+01 -0.720618D+01 -0.158199D+02  0.761898D+01 -0.156472D+02
      4   0.837345D+01 -0.141727D+01 -0.796780D+01  0.898370D-01 -0.843636D+01
      5   0.138468D+00 -0.208703D+01 -0.274728D+01 -0.107479D+02 -0.391934D+01
      6   0.298652D+01  0.197180D+01 -0.354387D+01 -0.136435D+02 -0.418530D+01
                41            42            43            44            45 
      1  -0.284994D+01 -0.218970D+01 -0.108026D+02 -0.169830D+01  0.362073D+00
      2  -0.768893D+01  0.434154D+01  0.408139D+01  0.313682D+01  0.357915D+01
      3   0.105389D+02 -0.215184D+01  0.672121D+01 -0.143852D+01 -0.394122D+01
      4   0.962758D+01  0.309116D+01 -0.579084D+00  0.498921D+01 -0.792444D+01
      5  -0.619718D+01 -0.124897D+02 -0.923797D+01 -0.116789D+02  0.776436D+01
      6   0.364070D+01  0.698574D+00 -0.126566D+02  0.938537D+00 -0.496690D+01
                46            47            48            49            50 
      1  -0.173426D+01  0.334493D+01 -0.574903D+01  0.282894D+01 -0.610008D+01
      2  -0.441038D+00 -0.979623D+00 -0.152818D+01 -0.774521D+00  0.238753D+01
      3   0.217530D+01 -0.236530D+01  0.727722D+01 -0.205442D+01  0.371255D+01
      4  -0.675892D+00  0.229866D+01 -0.239188D+00  0.375666D+01  0.240132D+01
      5   0.281977D+01 -0.775111D+00  0.305743D+01 -0.158620D+01 -0.280897D+01
      6  -0.196137D+01  0.286360D+01 -0.392485D+01  0.220042D+00 -0.897835D+01
                51            52            53            54            55 
      1   0.952618D+01 -0.411328D+01  0.920666D+01 -0.201167D+02  0.131034D+02
      2  -0.925819D-01  0.105378D+01 -0.684962D-01 -0.104105D+02 -0.740095D+01
      3  -0.943360D+01  0.305950D+01 -0.913816D+01  0.305272D+02 -0.570250D+01
      4  -0.299094D+01 -0.687698D+00 -0.345371D+01  0.367478D+01 -0.801487D+01
      5   0.368599D+01  0.543768D+01  0.311138D+01 -0.936048D+01 -0.963034D+01
      6   0.119842D+02 -0.142892D+01  0.115532D+02 -0.156715D+02  0.487041D+01
                56            57            58            59            60 
      1  -0.592700D+01 -0.315454D+01 -0.872365D+01  0.313169D+01  0.150233D+01
      2   0.449779D+01  0.395453D+01  0.581756D+01  0.674994D+00 -0.386758D+01
      3   0.142922D+01 -0.799991D+00  0.290609D+01 -0.380668D+01  0.236525D+01
      4   0.105560D+02  0.415313D+01  0.121144D+02 -0.156752D+02 -0.512521D+01
      5   0.689450D+01  0.697110D+01  0.101037D+02 -0.786115D+01 -0.867049D+01
      6  -0.520409D+01 -0.341365D+01 -0.643745D+01  0.120243D+02  0.740250D+01
                61            62            63            64            65 
      1  -0.174190D+01  0.166157D+01 -0.126752D+01  0.225787D+02  0.928185D+01
      2   0.362798D+01 -0.277606D+01 -0.385772D+01 -0.624672D+01  0.749111D+00
      3  -0.188608D+01  0.111450D+01  0.512524D+01 -0.163320D+02 -0.100310D+02
      4   0.362027D+01 -0.354128D+01 -0.360868D+01  0.150341D+02  0.135079D+02
      5   0.684299D+01 -0.559997D+01 -0.679673D+01 -0.182670D+01 -0.110171D-01
      6  -0.383632D+01  0.647673D+01  0.314009D+01 -0.154871D+01 -0.275850D+01
                66            67            68            69            70 
      1   0.404641D+01  0.103833D+02  0.513438D+01  0.312923D+01  0.811989D+01
      2  -0.192675D+00  0.855106D+00  0.570370D+01  0.172757D+01 -0.207625D+01
      3  -0.385373D+01 -0.112384D+02 -0.108381D+02 -0.485681D+01 -0.604364D+01
      4   0.354689D+01  0.149510D+02  0.140209D+02  0.229171D+01  0.622921D+01
      5   0.454456D+01 -0.870330D+00 -0.104952D+01  0.354036D+01  0.352819D+01
      6   0.501550D+00 -0.265034D+01 -0.189546D+01  0.345429D+01  0.626005D+00
                71            72            73            74            75 
      1   0.344847D+01  0.146510D+01  0.741705D+01 -0.459803D+00  0.351431D+01
      2   0.205640D+01 -0.154073D+00 -0.821531D+01  0.158449D+01 -0.870170D+01
      3  -0.550487D+01 -0.131103D+01  0.798259D+00 -0.112468D+01  0.518739D+01
      4   0.531081D+01  0.374211D+01  0.138297D+01  0.281081D+01 -0.564775D+00
      5   0.264850D+01  0.446230D+01  0.983994D+01 -0.286706D+01  0.127690D+02
      6   0.232991D+01  0.103408D+01  0.272249D+00  0.300507D+00  0.196453D+01
                76            77            78            79            80 
      1  -0.247926D+01 -0.152902D+01 -0.572620D+00  0.358063D+01 -0.161335D+01
      2   0.340912D+01 -0.989049D+00  0.712550D+01 -0.100462D+02  0.579020D+01
      3  -0.929864D+00  0.251807D+01 -0.655288D+01  0.646561D+01 -0.417685D+01
      4   0.209853D+01 -0.363982D+01  0.277571D+01  0.325625D+00  0.360136D+01
      5  -0.569509D+01  0.327063D+01 -0.683750D+01  0.143356D+02 -0.334617D+01
      6   0.607832D+00 -0.236489D+01  0.354681D+01  0.224713D+01  0.491563D+01
                81            82            83            84            85 
      1  -0.335806D+01  0.261000D+02  0.592723D+01 -0.796682D+01  0.403154D+01
      2  -0.190017D+02 -0.816043D+01  0.121454D+01  0.784983D+00  0.185509D+01
      3   0.223597D+02 -0.179396D+02 -0.714177D+01  0.718184D+01 -0.588664D+01
      4  -0.456586D-01  0.172465D+02  0.104522D+02 -0.592393D+01  0.928921D+01
      5   0.211522D+02 -0.390557D+01 -0.136681D+01  0.745229D+01 -0.123473D+01
      6   0.431283D+01 -0.387696D+01 -0.191921D+01  0.431942D+01 -0.241453D+01
                86            87            88            89            90 
      1   0.842795D+00 -0.184383D+01 -0.114414D+02 -0.209575D+01  0.508587D+01
      2   0.448803D+01 -0.140910D+00  0.241253D+01 -0.157381D+01 -0.316447D+01
      3  -0.533083D+01  0.198474D+01  0.902886D+01  0.366957D+01 -0.192140D+01
      4   0.657017D+01 -0.400232D+01 -0.926133D+01 -0.689447D+01  0.462396D+01
      5  -0.182822D+01  0.550461D+00  0.730627D+01  0.149736D+01 -0.665030D+01
      6  -0.357622D+00  0.304927D+01  0.431358D+01  0.304215D+01 -0.569425D+01
                91            92            93            94            95 
      1  -0.194874D+01  0.816828D+01  0.244550D+01  0.631198D+01 -0.220363D+02
      2   0.377975D+01 -0.100976D+02 -0.206457D+01 -0.596347D+01  0.323226D+02
      3  -0.183101D+01  0.192936D+01 -0.380926D+00 -0.348514D+00 -0.102863D+02
      4  -0.371636D+01  0.407276D+01  0.237921D+00  0.560470D+01  0.435975D+01
      5  -0.307026D+01  0.173098D+01  0.206321D+01  0.224926D+01 -0.308180D+00
      6   0.224626D+01 -0.628498D+01 -0.451119D+01 -0.321433D+01  0.177485D+02
                96            97            98            99           100 
      1  -0.801970D+01  0.109657D+01 -0.718398D+01 -0.502239D+01  0.458991D+01
      2   0.715889D+01 -0.174051D+01  0.583880D+01  0.201467D+01  0.298149D+00
      3   0.860810D+00  0.643945D+00  0.134518D+01  0.300772D+01 -0.488806D+01
      4   0.118651D+01  0.433377D-01  0.976513D+00  0.304955D+00 -0.876763D+01
      5   0.542796D+00  0.293374D+01 -0.163816D+00  0.153569D+01  0.338325D+01
      6   0.109104D+02 -0.187391D+01  0.102937D+02  0.685345D+01 -0.362058D+01
               101           102           103           104           105 
      1  -0.189747D+01  0.106454D+01 -0.956034D+00 -0.556647D+01  0.177999D+01
      2  -0.296302D+01  0.250405D+01 -0.358017D+01  0.137086D+02 -0.655671D+01
      3   0.486049D+01 -0.356860D+01  0.453621D+01 -0.814217D+01  0.477672D+01
      4   0.868288D+01 -0.547228D+01  0.777688D+01 -0.891195D+01  0.691793D+01
      5  -0.309124D+01  0.670592D+01 -0.249128D+01  0.420120D+01 -0.360890D+01
      6   0.449754D+01 -0.514092D+01  0.470046D+01 -0.785315D+01  0.970466D+01
               106           107           108           109           110 
      1   0.191434D+01  0.366345D+01 -0.264950D+01 -0.257260D+01 -0.856925D+01
      2   0.259484D+01 -0.101375D+02  0.307216D+01  0.417108D+01  0.128953D+02
      3  -0.450917D+01  0.647402D+01 -0.422663D+00 -0.159848D+01 -0.432603D+01
      4  -0.844056D+01  0.100234D+02 -0.786832D+01  0.896604D+01  0.731631D+01
      5   0.709556D+01 -0.489501D+01  0.928164D+01  0.296033D+01  0.185948D+01
      6  -0.610770D+01  0.114216D+02 -0.156170D+02  0.536499D+01  0.838303D+01
               111           112           113           114           115 
      1  -0.545091D+01 -0.613402D+01 -0.157680D+02 -0.774109D+01 -0.467578D+01
      2   0.423569D+01  0.806002D+01  0.237177D+02  0.759274D+01  0.378727D+01
      3   0.121522D+01 -0.192600D+01 -0.794967D+01  0.148353D+00  0.888510D+00
      4   0.394889D+01  0.702082D+01  0.500042D+01  0.300787D+01  0.406806D+01
      5   0.366101D+01  0.131472D+01  0.157200D+01  0.309417D-01  0.420127D+01
      6   0.657059D+01  0.569311D+01  0.127220D+02  0.107749D+02  0.375600D+01
               116           117           118           119           120 
      1  -0.861956D+01 -0.711448D+01  0.186182D+02  0.331182D+00 -0.750780D+01
      2   0.823520D+01  0.403543D+01 -0.134717D+02 -0.240464D+01  0.968412D+01
      3   0.384364D+00  0.307905D+01 -0.514659D+01  0.207346D+01 -0.217632D+01
      4   0.270722D+01  0.151653D+01 -0.119030D+02  0.625628D+01  0.628152D+01
      5   0.437963D+00  0.117439D+01 -0.158284D+02  0.809380D+00  0.133232D+02
      6   0.120688D+02  0.998334D+01  0.662422D+01 -0.167301D+01 -0.666083D+01
               121           122           123           124           125 
      1   0.278251D+01  0.776282D+00 -0.136943D+01 -0.773794D+01 -0.173950D+01
      2  -0.313325D+01 -0.779889D+00  0.307628D+01  0.994446D+01  0.286302D+01
      3   0.350737D+00  0.360691D-02 -0.170685D+01 -0.220652D+01 -0.112352D+01
      4   0.347925D+01  0.818091D+00 -0.117098D+01  0.712340D+01 -0.251240D+01
      5  -0.189298D+01 -0.188200D+01  0.154705D+01  0.136628D+02 -0.127640D+01
      6  -0.760227D+00  0.658673D-01  0.292439D+01 -0.623768D+01  0.510385D+01
               126           127           128           129           130 
      1   0.195374D+01  0.487388D+01 -0.215912D+01 -0.129717D+00 -0.210484D+01
      2  -0.862999D+01  0.170401D+01 -0.706661D+01 -0.123661D+01 -0.739559D+01
      3   0.667626D+01 -0.657789D+01  0.922573D+01  0.136632D+01  0.950043D+01
      4  -0.600412D+01 -0.103389D+02  0.126886D+02 -0.389387D+00  0.129932D+02
      5  -0.130083D+02  0.475286D+01 -0.377632D+01  0.440404D+01 -0.464779D+01
      6   0.700920D+01 -0.404589D+01  0.609781D+01 -0.124681D+01  0.600536D+01
               131           132           133           134           135 
      1  -0.633024D+01  0.248490D+01 -0.104308D+01  0.528111D+00 -0.495866D+00
      2   0.233483D+02  0.125807D+01 -0.106802D+01  0.395758D+01  0.157811D+01
      3  -0.170181D+02 -0.374297D+01  0.211110D+01 -0.448569D+01 -0.108224D+01
      4  -0.179176D+02  0.436255D+00  0.223708D+01 -0.252805D+01 -0.166639D+01
      5   0.564869D+01 -0.205283D+01  0.256881D+01 -0.917347D+00 -0.112821D+01
      6  -0.132492D+02  0.617024D+01 -0.500078D+00  0.331194D+01  0.800010D+00
               136           137           138           139           140 
      1  -0.227764D+01 -0.355099D+01  0.893607D+01 -0.243915D+01 -0.370345D+01
      2  -0.423968D+01  0.341547D+00  0.536043D+01 -0.337350D+00  0.249736D+01
      3   0.651732D+01  0.320944D+01 -0.142965D+02  0.277650D+01  0.120610D+01
      4   0.643051D+01  0.436770D+01 -0.403006D+01  0.436588D+01  0.833092D+00
      5  -0.126442D+02 -0.289237D+01  0.111240D+02 -0.195039D+01 -0.206647D+01
      6  -0.521593D+01 -0.658219D+01  0.904785D+01 -0.380299D+01 -0.608872D+01
               141           142           143           144           145 
      1   0.468768D+01  0.684976D+01  0.505793D+01 -0.138852D+02  0.979907D+01
      2  -0.136043D+01  0.290939D+01 -0.500844D+00 -0.947473D+01 -0.121225D+02
      3  -0.332726D+01 -0.975916D+01 -0.455709D+01  0.233599D+02  0.232348D+01
      4  -0.230529D+01 -0.340595D+01 -0.183815D+01  0.395929D+01  0.194727D+01
      5   0.292270D+01  0.100572D+02  0.320913D+01 -0.863807D+01  0.162407D+02
      6   0.799616D+01  0.614266D+01  0.778361D+01 -0.110560D+02  0.304615D+01
               146           147           148           149           150 
      1   0.308622D+01  0.303777D+01  0.408481D+01  0.793120D+00 -0.138660D+01
      2  -0.592168D+01 -0.958000D+01 -0.696855D+01 -0.163780D+01 -0.651888D+01
      3   0.283546D+01  0.654224D+01  0.288374D+01  0.844676D+00  0.790548D+01
      4   0.516922D+01  0.612997D+00  0.473788D+01  0.399749D+01  0.219610D+01
      5   0.564426D+01  0.142554D+02  0.886535D+01  0.631933D+01  0.891511D+01
      6   0.549941D+01  0.305801D+01  0.526931D+01  0.763329D+01  0.553682D+01
               151           152           153 
      1   0.226760D+01 -0.140927D+00 -0.279261D+01
      2  -0.817680D+01 -0.428637D+01 -0.110897D+02
      3   0.590920D+01  0.442729D+01  0.138823D+02
      4   0.303836D+00  0.136862D+01  0.192287D+01
      5   0.123747D+02  0.585248D+01  0.116830D+02
      6   0.345976D+01  0.516030D+01  0.332879D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:53:25 2022, MaxMem=  5368709120 cpu:            2105.2 elap:             263.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19399 -10.17098 -10.17098 -10.17098 -10.17096
 Alpha  occ. eigenvalues --   -0.81661  -0.67907  -0.67907  -0.67906  -0.53009
 Alpha  occ. eigenvalues --   -0.45052  -0.45052  -0.45052  -0.40265  -0.40265
 Alpha  occ. eigenvalues --   -0.36497  -0.36497  -0.36497  -0.32404  -0.32404
 Alpha  occ. eigenvalues --   -0.32403
 Alpha virt. eigenvalues --    0.01275   0.05491   0.05491   0.05491   0.08011
 Alpha virt. eigenvalues --    0.08012   0.08012   0.10343   0.11644   0.11645
 Alpha virt. eigenvalues --    0.14323   0.14323   0.14323   0.15436   0.15436
 Alpha virt. eigenvalues --    0.15436   0.16394   0.16394   0.20845   0.20846
 Alpha virt. eigenvalues --    0.20846   0.25174   0.25174   0.25174   0.27538
 Alpha virt. eigenvalues --    0.27538   0.27539   0.28499   0.30477   0.32871
 Alpha virt. eigenvalues --    0.32871   0.32872   0.34267   0.34267   0.34267
 Alpha virt. eigenvalues --    0.36008   0.36009   0.37399   0.37399   0.37399
 Alpha virt. eigenvalues --    0.37689   0.37689   0.37689   0.38801   0.39508
 Alpha virt. eigenvalues --    0.39508   0.41707   0.41707   0.41707   0.45455
 Alpha virt. eigenvalues --    0.46233   0.46233   0.46233   0.47686   0.47687
 Alpha virt. eigenvalues --    0.49794   0.49794   0.49795   0.51344   0.51345
 Alpha virt. eigenvalues --    0.51345   0.53425   0.54445   0.54445   0.54445
 Alpha virt. eigenvalues --    0.57510   0.57511   0.57511   0.62753   0.62753
 Alpha virt. eigenvalues --    0.62754   0.63231   0.64318   0.64318   0.64318
 Alpha virt. eigenvalues --    0.64646   0.64646   0.72281   0.72281   0.78407
 Alpha virt. eigenvalues --    0.78408   0.78408   0.80978   0.86896   0.86896
 Alpha virt. eigenvalues --    0.86896   0.94570   0.94570   0.94570   0.96074
 Alpha virt. eigenvalues --    0.99262   0.99263   0.99264   1.02852   1.02852
 Alpha virt. eigenvalues --    1.02852   1.05021   1.05022   1.20421   1.20421
 Alpha virt. eigenvalues --    1.20423   1.23220   1.31741   1.31741   1.31741
 Alpha virt. eigenvalues --    1.33827   1.34681   1.34681   1.34684   1.38582
 Alpha virt. eigenvalues --    1.38585   1.38586   1.48886   1.48889   1.58615
 Alpha virt. eigenvalues --    1.58618   1.58619   1.66209   1.66209   1.70067
 Alpha virt. eigenvalues --    1.79830   1.79832   1.83205   1.83205   1.83205
 Alpha virt. eigenvalues --    1.83690   1.83694   1.83695   1.89343   1.89347
 Alpha virt. eigenvalues --    1.89350   2.00546   2.00546   2.00547   2.03888
 Alpha virt. eigenvalues --    2.03888   2.03891   2.09796   2.09800   2.12844
 Alpha virt. eigenvalues --    2.12847   2.12847   2.14384   2.23603   2.23604
 Alpha virt. eigenvalues --    2.23605   2.33510   2.33511   2.39641   2.39642
 Alpha virt. eigenvalues --    2.39644   2.42607   2.55225   2.55226   2.55227
 Alpha virt. eigenvalues --    2.60082   2.60082   2.60084   2.68397   2.68398
 Alpha virt. eigenvalues --    2.70855   2.70857   2.70858   2.85720   3.01872
 Alpha virt. eigenvalues --    3.01874   3.01876   3.11994   3.11995   3.11998
 Alpha virt. eigenvalues --    3.13645   3.13646   3.13649   3.24682   3.24685
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.083812  -0.210175  -0.210163  -0.210292  -0.209645   0.034333
     2  C   -0.210175   4.436226  -0.043791  -0.043792  -0.043794   0.114638
     3  C   -0.210163  -0.043791   4.436185  -0.043772  -0.043814   0.002316
     4  C   -0.210292  -0.043792  -0.043772   4.436302  -0.043817   0.002360
     5  C   -0.209645  -0.043794  -0.043814  -0.043817   4.435838   0.004462
     6  H    0.034333   0.114638   0.002316   0.002360   0.004462   0.986344
     7  H    0.035064   0.114506   0.002274   0.004415   0.002257  -0.090659
     8  H    0.034848   0.114505   0.004429   0.002257   0.002323  -0.090607
     9  H    0.034622   0.002294   0.114572   0.002342   0.004446   0.005077
    10  H    0.034650   0.004435   0.114562   0.002278   0.002332   0.002480
    11  H    0.034964   0.002303   0.114523   0.004426   0.002235  -0.012563
    12  H    0.035221   0.002260   0.002283   0.114420   0.004422   0.005033
    13  H    0.034588   0.002350   0.004441   0.114575   0.002262  -0.012576
    14  H    0.034466   0.004442   0.002346   0.114580   0.002296   0.002472
    15  H    0.034172   0.002338   0.002347   0.004463   0.114691   0.002481
    16  H    0.035084   0.004428   0.002248   0.002281   0.114515  -0.001493
    17  H    0.034762   0.002278   0.004441   0.002319   0.114577   0.002480
               7          8          9         10         11         12
     1  C    0.035064   0.034848   0.034622   0.034650   0.034964   0.035221
     2  C    0.114506   0.114505   0.002294   0.004435   0.002303   0.002260
     3  C    0.002274   0.004429   0.114572   0.114562   0.114523   0.002283
     4  C    0.004415   0.002257   0.002342   0.002278   0.004426   0.114420
     5  C    0.002257   0.002323   0.004446   0.002332   0.002235   0.004422
     6  H   -0.090659  -0.090607   0.005077   0.002480  -0.012563   0.005033
     7  H    0.985993  -0.090609  -0.012618   0.002463   0.005006   0.002466
     8  H   -0.090609   0.985975   0.002471  -0.001490   0.002465  -0.012606
     9  H   -0.012618   0.002471   0.986197  -0.090626  -0.090622   0.005009
    10  H    0.002463  -0.001490  -0.090626   0.986102  -0.090626  -0.012631
    11  H    0.005006   0.002465  -0.090622  -0.090626   0.986055   0.002461
    12  H    0.002466  -0.012606   0.005009  -0.012631   0.002461   0.985961
    13  H    0.002464   0.005048   0.002473   0.002477  -0.001491  -0.090642
    14  H   -0.001490   0.002479  -0.012546   0.005061   0.002475  -0.090612
    15  H    0.005045  -0.012581   0.002482  -0.012534   0.005054  -0.001492
    16  H    0.002469   0.002461   0.002469   0.005013  -0.012646   0.002466
    17  H   -0.012593   0.005015  -0.001492   0.002470   0.002470   0.002464
              13         14         15         16         17
     1  C    0.034588   0.034466   0.034172   0.035084   0.034762
     2  C    0.002350   0.004442   0.002338   0.004428   0.002278
     3  C    0.004441   0.002346   0.002347   0.002248   0.004441
     4  C    0.114575   0.114580   0.004463   0.002281   0.002319
     5  C    0.002262   0.002296   0.114691   0.114515   0.114577
     6  H   -0.012576   0.002472   0.002481  -0.001493   0.002480
     7  H    0.002464  -0.001490   0.005045   0.002469  -0.012593
     8  H    0.005048   0.002479  -0.012581   0.002461   0.005015
     9  H    0.002473  -0.012546   0.002482   0.002469  -0.001492
    10  H    0.002477   0.005061  -0.012534   0.005013   0.002470
    11  H   -0.001491   0.002475   0.005054  -0.012646   0.002470
    12  H   -0.090642  -0.090612  -0.001492   0.002466   0.002464
    13  H    0.986256  -0.090632   0.002484  -0.012585   0.005044
    14  H   -0.090632   0.986156   0.002478   0.005029  -0.012600
    15  H    0.002484   0.002478   0.986340  -0.090632  -0.090627
    16  H   -0.012585   0.005029  -0.090632   0.986090  -0.090624
    17  H    0.005044  -0.012600  -0.090627  -0.090624   0.986117
 Mulliken charges:
               1
     1  C   -6.660310
     2  C    1.534548
     3  C    1.534574
     4  C    1.534654
     5  C    1.534413
     6  H    0.043422
     7  H    0.043546
     8  H    0.043613
     9  H    0.043450
    10  H    0.043582
    11  H    0.043511
    12  H    0.043517
    13  H    0.043465
    14  H    0.043599
    15  H    0.043490
    16  H    0.043426
    17  H    0.043499
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -6.660310
     2  C    1.665130
     3  C    1.665117
     4  C    1.665235
     5  C    1.664829
 Electronic spatial extent (au):  <R**2>=            485.2095
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=             -0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -36.0080   YY=            -36.0079   ZZ=            -36.0079
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0000
   XY=              0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3828  YYY=             -1.0691  ZZZ=             -0.8643  XYY=              1.7213
  XXY=              0.0184  XXZ=              1.3781  XZZ=             -1.3385  YZZ=              1.0504
  YYZ=             -0.5138  XYZ=              1.8449
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -235.6759 YYYY=           -235.0172 ZZZZ=           -235.2135 XXXY=              0.7120
 XXXZ=             -0.6496 YYYX=             -0.7649 YYYZ=              0.8841 ZZZX=              0.3474
 ZZZY=             -1.0879 XXYY=            -77.6970 XXZZ=            -77.4941 YYZZ=            -78.1366
 XXYZ=              0.2034 YYXZ=              0.3025 ZZXY=              0.0528
 N-N= 1.985720799793D+02 E-N=-8.522127690589D+02  KE= 1.950982081673D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:53:25 2022, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290698D-06-2.40208712D-06-2.94381930D-06
 Polarizability= 6.33545600D+01 1.19950014D-04 6.33541331D+01
                 3.32805357D-04-2.65587194D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0006   -0.0002       -0.0007    0.0000
 2      0.0006    0.0002        0.0000    0.0001       -0.0026   -0.0003
 3      0.0007   -0.0000        0.0027    0.0001       -0.0004   -0.0001
 4     -0.0000   -0.0001       -0.0000    0.0000        0.0009   -0.0000
 5     -0.0001    0.0002       -0.0009    0.0000       -0.0003   -0.0002
 6      0.0004    0.0001        0.0003    0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0005    0.0005        0.0001    0.0001
 2     -0.0004   -0.0004       -0.0000    0.0000        0.0001    0.0001
 3     -0.0004   -0.0004        0.0005    0.0005       -0.0000    0.0000
 4      0.0005    0.0005        0.0004    0.0004       -0.0009   -0.0009
 5     -0.0001   -0.0001        0.0003    0.0003       -0.0004   -0.0004
 6      0.0006    0.0006        0.0001    0.0001       -0.0005   -0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0357    0.0000        0.0173    0.0007       -0.0284   -0.0001
 2      0.0367   -0.0007        0.0320   -0.0005       -0.0060    0.0012
 3      0.0429    0.0001        0.0137   -0.0004        0.0009    0.0005
 4     -0.0203    0.0005        0.0017    0.0000       -0.0233    0.0001
 5     -0.0132   -0.0008       -0.0184   -0.0001       -0.0347    0.0007
 6      0.0004   -0.0005       -0.0015   -0.0007       -0.0027    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0025    0.0000       -0.0022   -0.0011       -0.0154    0.0003
 2     -0.0449    0.0011        0.0119    0.0007       -0.0174   -0.0016
 3      0.0020   -0.0003       -0.0265    0.0016        0.0125   -0.0007
 4      0.0099   -0.0007        0.0059    0.0000        0.0011   -0.0003
 5      0.0541   -0.0001       -0.0298    0.0003        0.0089   -0.0011
 6     -0.0006    0.0007        0.0022    0.0011        0.0286    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.2404    3.2525        1.0693    1.1004        2.0585    2.0063
 2      3.2529    3.2507        1.0623    1.1014        2.0312    2.0063
 3      3.2491    3.2507        1.0635    1.1004        2.0471    2.0067
 4     -0.0785   -0.0010        0.0295    0.0018        0.0029    0.0009
 5      0.0267    0.0004       -0.0320    0.0007       -0.0283   -0.0018
 6      0.0686   -0.0017       -0.0322   -0.0004        0.0130    0.0010
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9934   -4.9461   -2.3058   -0.0004    0.0001    0.0004
 Low frequencies ---  162.3199  204.7520  232.1821
 Diagonal vibrational polarizability:
        0.7232579       0.7231567       0.7231639
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    162.3188               204.7519               232.1819
 Red. masses --      1.6732                 1.8410                 1.4416
 Frc consts  --      0.0260                 0.0455                 0.0458
 IR Inten    --      0.0000                 0.0001                 0.0003
 RamAct Fr= 1--      0.0008                 0.0038                 0.0037
  Dep-P Fr= 1--      0.7479                 0.7496                 0.7467
  Dep-U Fr= 1--      0.8558                 0.8569                 0.8550
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0005                 0.0005
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0000                 0.0008                -0.0013
 Delta2 Fr= 1--      0.0002                -0.0021                 0.0031
 Raman1 Fr= 1--       0.003                  0.015                  0.015
 ROA1   Fr= 1--       0.001                  0.013                 -0.031
 CID1   Fr= 1--       0.414                  0.856                 -2.075
 Raman2 Fr= 1--       0.001                  0.007                  0.006
 ROA2   Fr= 1--      -0.002                  0.037                 -0.057
 CID2   Fr= 1--      -1.747                  5.642                 -8.897
 Raman3 Fr= 1--       0.003                  0.013                  0.013
 ROA3   Fr= 1--       0.001                  0.013                 -0.031
 CID3   Fr= 1--       0.484                  0.999                 -2.427
 RC180  Fr= 1--       0.712                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.01   0.00
     2   6    -0.02   0.01  -0.01     0.01  -0.04  -0.00    -0.00  -0.02  -0.01
     3   6    -0.01   0.00  -0.00    -0.02   0.01  -0.00    -0.02   0.02  -0.00
     4   6    -0.00  -0.01   0.02     0.02   0.01  -0.02     0.04   0.00   0.02
     5   6     0.02  -0.01  -0.02    -0.02   0.01   0.01    -0.00  -0.03  -0.00
     6   1    -0.00   0.23   0.10     0.05   0.10   0.06    -0.07  -0.45  -0.21
     7   1    -0.16  -0.01  -0.21    -0.12  -0.08  -0.12     0.29   0.03   0.36
     8   1     0.11  -0.18   0.07     0.12  -0.19   0.05    -0.24   0.37  -0.20
     9   1     0.27  -0.14  -0.20    -0.29   0.16   0.20     0.04   0.02  -0.03
    10   1    -0.20   0.30  -0.13     0.17  -0.26   0.13    -0.06   0.09  -0.02
    11   1    -0.11  -0.15   0.33     0.05   0.14  -0.32    -0.07  -0.02   0.04
    12   1    -0.19  -0.10   0.06    -0.03  -0.03  -0.02     0.16   0.09   0.01
    13   1     0.05   0.07  -0.15     0.05   0.03  -0.09     0.04  -0.08   0.13
    14   1     0.13  -0.00   0.18     0.06   0.04   0.04    -0.04   0.01  -0.08
    15   1     0.28   0.15  -0.06     0.33   0.21  -0.00     0.21   0.10  -0.04
    16   1    -0.00  -0.29  -0.13    -0.07  -0.33  -0.17    -0.04  -0.26  -0.12
    17   1    -0.20   0.11   0.14    -0.33   0.18   0.22    -0.20   0.06   0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.9361               300.0860               304.0493
 Red. masses --      1.0698                 2.5810                 2.4928
 Frc consts  --      0.0442                 0.1369                 0.1358
 IR Inten    --      0.0000                 0.0005                 0.0008
 RamAct Fr= 1--      0.0058                 0.8887                 0.9658
  Dep-P Fr= 1--      0.7401                 0.7498                 0.7499
  Dep-U Fr= 1--      0.8507                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0008                 0.1269                 0.1380
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0003                -0.0027                 0.0026
 Delta2 Fr= 1--     -0.0011                -0.0031                 0.0009
 Raman1 Fr= 1--       0.023                  3.555                  3.863
 ROA1   Fr= 1--      -0.007                 -0.362                  0.276
 CID1   Fr= 1--      -0.298                 -0.102                  0.071
 Raman2 Fr= 1--       0.010                  1.523                  1.656
 ROA2   Fr= 1--       0.017                 -0.041                  0.055
 CID2   Fr= 1--       1.665                 -0.027                  0.033
 Raman3 Fr= 1--       0.020                  3.047                  3.311
 ROA3   Fr= 1--      -0.007                 -0.362                  0.276
 CID3   Fr= 1--      -0.351                 -0.119                  0.083
 RC180  Fr= 1--       0.701                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.02   0.03    -0.00  -0.03  -0.00
     2   6    -0.01  -0.00  -0.01    -0.06  -0.13  -0.07     0.10  -0.06   0.12
     3   6    -0.01  -0.01   0.02     0.03   0.05  -0.13    -0.11   0.09  -0.01
     4   6    -0.01  -0.00   0.00    -0.02  -0.07   0.14    -0.13  -0.08  -0.07
     5   6     0.02   0.02  -0.01     0.03   0.12   0.09     0.14   0.03  -0.03
     6   1    -0.00   0.12   0.05    -0.12  -0.23  -0.10     0.27  -0.12   0.02
     7   1    -0.11  -0.02  -0.13    -0.15  -0.20  -0.02     0.17  -0.07   0.28
     8   1     0.07  -0.12   0.03     0.04  -0.12  -0.23     0.01  -0.03   0.22
     9   1     0.01  -0.04  -0.01     0.20   0.21  -0.13    -0.09   0.23   0.06
    10   1    -0.02   0.04   0.01    -0.08  -0.02  -0.31    -0.12   0.21   0.02
    11   1    -0.02  -0.03   0.06     0.06   0.09  -0.22    -0.30   0.02  -0.10
    12   1     0.46   0.27  -0.05    -0.11   0.01   0.23    -0.18  -0.20  -0.11
    13   1    -0.15  -0.22   0.49    -0.02  -0.10   0.18    -0.25   0.05  -0.09
    14   1    -0.35  -0.07  -0.43     0.04  -0.18   0.18    -0.13  -0.17  -0.09
    15   1     0.08   0.05  -0.01     0.03   0.08   0.28     0.19   0.07  -0.09
    16   1     0.04  -0.03  -0.01     0.05   0.27   0.17     0.27  -0.01   0.10
    17   1    -0.01   0.06  -0.01     0.03   0.24  -0.06     0.19   0.10  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.4392               378.5761               391.3537
 Red. masses --      2.4591                 2.4131                 2.2897
 Frc consts  --      0.2053                 0.2038                 0.2066
 IR Inten    --      0.0328                 0.0659                 0.0409
 RamAct Fr= 1--      0.1761                 0.2151                 0.2457
  Dep-P Fr= 1--      0.7238                 0.7489                 0.7475
  Dep-U Fr= 1--      0.8398                 0.8564                 0.8555
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0246                 0.0307                 0.0350
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0039                -0.0061                 0.0059
 Delta2 Fr= 1--      0.0120                -0.0033                -0.0060
 Raman1 Fr= 1--       0.704                  0.860                  0.983
 ROA1   Fr= 1--       0.756                 -0.696                  0.374
 CID1   Fr= 1--       1.074                 -0.808                  0.381
 Raman2 Fr= 1--       0.296                  0.368                  0.420
 ROA2   Fr= 1--      -0.004                 -0.120                  0.190
 CID2   Fr= 1--      -0.012                 -0.327                  0.453
 Raman3 Fr= 1--       0.591                  0.737                  0.841
 ROA3   Fr= 1--       0.756                 -0.696                  0.374
 CID3   Fr= 1--       1.279                 -0.944                  0.445
 RC180  Fr= 1--       0.680                  0.713                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.09  -0.04    -0.08  -0.09  -0.06     0.02   0.07  -0.13
     2   6     0.04   0.12  -0.09    -0.02   0.06   0.09     0.15  -0.03  -0.03
     3   6    -0.04   0.03   0.02    -0.10  -0.11  -0.08    -0.01  -0.02   0.03
     4   6     0.04  -0.16  -0.05     0.16   0.00   0.03    -0.04  -0.04   0.14
     5   6    -0.04   0.00   0.10     0.02   0.08  -0.02    -0.09   0.08  -0.11
     6   1    -0.13   0.26   0.05     0.08   0.18   0.11     0.34  -0.10  -0.15
     7   1     0.12   0.25  -0.34     0.14   0.17   0.05     0.14  -0.09   0.15
     8   1     0.00   0.14  -0.06    -0.19   0.07   0.34     0.13  -0.04   0.02
     9   1    -0.08   0.16   0.10    -0.10  -0.13  -0.09    -0.19  -0.22   0.01
    10   1    -0.01   0.23   0.13    -0.11  -0.13  -0.09     0.11   0.05   0.21
    11   1    -0.31  -0.08  -0.07    -0.09  -0.11  -0.07    -0.02  -0.06   0.15
    12   1     0.02  -0.18  -0.05     0.20   0.15   0.09    -0.21   0.14   0.33
    13   1    -0.04  -0.10  -0.02     0.39  -0.19  -0.02    -0.05  -0.11   0.24
    14   1     0.04  -0.24  -0.07     0.19   0.19   0.12     0.08  -0.31   0.21
    15   1    -0.08  -0.09   0.39     0.09   0.08   0.13    -0.12   0.05  -0.02
    16   1    -0.20   0.20  -0.02     0.10   0.16   0.11    -0.17   0.15  -0.17
    17   1    -0.11   0.05   0.14     0.00   0.26  -0.24    -0.12   0.08  -0.07
                     10                     11                     12
                      A                      A                      A
 Frequencies --    681.6899               753.4467               777.8327
 Red. masses --      3.3804                 2.4688                 2.2483
 Frc consts  --      0.9255                 0.8257                 0.8015
 IR Inten    --      0.0466                 0.1323                 0.0708
 RamAct Fr= 1--     14.7838                 0.9420                 0.5654
  Dep-P Fr= 1--      0.0060                 0.6935                 0.5315
  Dep-U Fr= 1--      0.0120                 0.8190                 0.6941
 Alpha2 Fr= 1--      0.3239                 0.0009                 0.0024
 Beta2  Fr= 1--      0.0296                 0.1286                 0.0654
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0091                -0.0904                -0.2641
 Delta2 Fr= 1--     -0.0088                -0.1124                -0.3122
 Raman1 Fr= 1--      59.135                  3.768                  2.261
 ROA1   Fr= 1--      -1.156                -12.279                -35.343
 CID1   Fr= 1--      -0.020                 -3.259                -15.629
 Raman2 Fr= 1--       0.356                  1.543                  0.785
 ROA2   Fr= 1--      -0.148                 -1.271                 -3.840
 CID2   Fr= 1--      -0.416                 -0.824                 -4.894
 Raman3 Fr= 1--       0.711                  3.086                  1.570
 ROA3   Fr= 1--      -1.156                -12.279                -35.343
 CID3   Fr= 1--      -1.625                 -3.979                -22.517
 RC180  Fr= 1--      -0.976                  0.638                  0.388
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.02  -0.01  -0.02     0.00   0.02  -0.05
     2   6     0.15   0.07  -0.07    -0.02  -0.01   0.02     0.01  -0.03  -0.12
     3   6    -0.15  -0.13  -0.11    -0.01   0.14  -0.07    -0.10   0.06   0.09
     4   6    -0.09   0.17   0.05    -0.02   0.03   0.01     0.02  -0.01  -0.02
     5   6     0.10  -0.06   0.15     0.02  -0.16   0.01     0.07   0.00   0.00
     6   1     0.16   0.01  -0.11    -0.04  -0.03   0.01     0.26   0.11  -0.14
     7   1     0.09   0.02  -0.05    -0.05  -0.02   0.03     0.20   0.05  -0.02
     8   1     0.28   0.05  -0.23     0.00   0.00  -0.03    -0.30  -0.06   0.36
     9   1    -0.23  -0.25  -0.14    -0.26  -0.29  -0.18     0.10   0.01  -0.03
    10   1    -0.18  -0.19  -0.16     0.21   0.10   0.17    -0.24  -0.28  -0.20
    11   1    -0.22  -0.17  -0.13     0.25   0.18   0.24     0.31   0.27   0.14
    12   1    -0.09   0.17   0.05     0.01  -0.09  -0.07    -0.06  -0.03   0.01
    13   1    -0.10   0.19   0.05    -0.09   0.13  -0.04    -0.11   0.06   0.06
    14   1    -0.10   0.18   0.05    -0.06   0.05  -0.04     0.03  -0.19  -0.06
    15   1     0.09  -0.08   0.18     0.23  -0.18   0.47    -0.00  -0.09   0.17
    16   1     0.09  -0.09   0.13     0.08   0.03   0.15    -0.07   0.06  -0.14
    17   1     0.13  -0.18   0.27    -0.09   0.20  -0.29     0.02  -0.12   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    795.3240               812.2463               885.6486
 Red. masses --      2.6575                 2.8227                 2.0954
 Frc consts  --      0.9904                 1.0972                 0.9684
 IR Inten    --      0.4559                 0.2837                 0.2204
 RamAct Fr= 1--      3.1325                 3.9464                 3.0498
  Dep-P Fr= 1--      0.7423                 0.5686                 0.3312
  Dep-U Fr= 1--      0.8521                 0.7250                 0.4976
 Alpha2 Fr= 1--      0.0004                 0.0135                 0.0284
 Beta2  Fr= 1--      0.4449                 0.4769                 0.2529
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0004
 Gamma2 Fr= 1--      0.3664                 0.1949                -0.4294
 Delta2 Fr= 1--      0.4604                 0.2561                -0.5548
 Raman1 Fr= 1--      12.530                 15.786                 12.199
 ROA1   Fr= 1--      49.908                 26.908                -58.980
 CID1   Fr= 1--       3.983                  1.705                 -4.835
 Raman2 Fr= 1--       5.338                  5.722                  3.035
 ROA2   Fr= 1--       5.110                  2.629                 -5.868
 CID2   Fr= 1--       0.957                  0.460                 -1.933
 Raman3 Fr= 1--      10.676                 11.444                  6.070
 ROA3   Fr= 1--      49.908                 26.908                -58.980
 CID3   Fr= 1--       4.675                  2.351                 -9.716
 RC180  Fr= 1--       0.704                  0.450                 -0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.10    -0.01  -0.07   0.01    -0.05  -0.05  -0.02
     2   6    -0.13  -0.07  -0.01     0.07   0.00  -0.07     0.08  -0.07  -0.12
     3   6     0.12  -0.04  -0.08     0.06  -0.08   0.13     0.04   0.03  -0.01
     4   6    -0.06   0.11   0.01    -0.10   0.15   0.06    -0.04   0.04  -0.02
     5   6     0.10   0.00   0.01    -0.04  -0.11  -0.11    -0.09  -0.03   0.17
     6   1     0.07  -0.01  -0.06     0.12   0.05  -0.07    -0.02   0.15   0.04
     7   1    -0.06  -0.06   0.13     0.15   0.05  -0.08     0.31   0.14  -0.35
     8   1    -0.34  -0.12   0.35    -0.00   0.01   0.03    -0.21   0.05   0.15
     9   1    -0.03   0.03   0.02     0.36   0.36   0.23    -0.00   0.02  -0.00
    10   1     0.26   0.31   0.21    -0.11  -0.05  -0.07     0.11   0.11   0.10
    11   1    -0.23  -0.21  -0.14    -0.09  -0.09  -0.11     0.06   0.03   0.04
    12   1    -0.11   0.25   0.11    -0.02   0.12   0.00    -0.14   0.23   0.14
    13   1     0.01   0.01   0.06    -0.05   0.14   0.00     0.03  -0.09   0.07
    14   1     0.00   0.06   0.06    -0.14   0.29   0.05     0.06  -0.06   0.07
    15   1     0.00  -0.11   0.21     0.09  -0.15   0.29     0.06   0.18  -0.29
    16   1    -0.07   0.06  -0.16    -0.05   0.08  -0.06     0.20  -0.25   0.42
    17   1     0.05  -0.17   0.30    -0.19   0.23  -0.35     0.12   0.00  -0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    919.7140               992.1077              1013.9709
 Red. masses --      1.6749                 1.6106                 1.8820
 Frc consts  --      0.8347                 0.9340                 1.1400
 IR Inten    --      0.4232                 0.0824                 0.1692
 RamAct Fr= 1--      3.6192                 2.2053                 1.7438
  Dep-P Fr= 1--      0.7469                 0.7130                 0.7424
  Dep-U Fr= 1--      0.8551                 0.8324                 0.8521
 Alpha2 Fr= 1--      0.0002                 0.0014                 0.0002
 Beta2  Fr= 1--      0.5158                 0.3060                 0.2477
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.2892                 0.0949                -0.1268
 Delta2 Fr= 1--      0.3281                 0.0367                -0.2112
 Raman1 Fr= 1--      14.477                  8.821                  6.975
 ROA1   Fr= 1--      38.263                 10.285                -18.934
 CID1   Fr= 1--       2.643                  1.166                 -2.714
 Raman2 Fr= 1--       6.190                  3.672                  2.972
 ROA2   Fr= 1--       4.317                  1.984                 -1.354
 CID2   Fr= 1--       0.697                  0.540                 -0.456
 Raman3 Fr= 1--      12.380                  7.343                  5.944
 ROA3   Fr= 1--      38.263                 10.285                -18.934
 CID3   Fr= 1--       3.091                  1.401                 -3.185
 RC180  Fr= 1--       0.710                  0.665                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.01   0.04    -0.00   0.02  -0.09    -0.03  -0.11   0.01
     2   6     0.00  -0.10   0.05    -0.01  -0.01   0.12     0.08  -0.09   0.05
     3   6    -0.02  -0.01  -0.02    -0.02  -0.02   0.04    -0.04   0.03  -0.03
     4   6     0.05   0.09   0.04    -0.00   0.04  -0.13    -0.11  -0.01   0.03
     5   6    -0.02   0.02  -0.05     0.01  -0.03  -0.00     0.07   0.08  -0.08
     6   1    -0.36   0.07   0.28    -0.21  -0.01   0.19    -0.27   0.09   0.27
     7   1     0.13   0.09  -0.30    -0.08   0.01  -0.07     0.20   0.12  -0.38
     8   1    -0.18   0.09   0.04     0.10   0.08  -0.17    -0.01   0.14  -0.12
     9   1    -0.08  -0.13  -0.06     0.09   0.09   0.05    -0.01   0.03  -0.04
    10   1    -0.03  -0.09  -0.07    -0.07  -0.04  -0.03     0.06   0.06   0.10
    11   1    -0.10  -0.05  -0.05     0.07   0.05   0.01     0.18   0.11   0.11
    12   1    -0.12  -0.15  -0.03    -0.32   0.49   0.28     0.11   0.12  -0.00
    13   1    -0.37   0.43   0.15     0.06  -0.23   0.17     0.22  -0.22  -0.12
    14   1     0.01  -0.29  -0.13     0.26  -0.41   0.06    -0.12   0.43   0.14
    15   1    -0.04   0.02  -0.07     0.10  -0.03   0.15    -0.12  -0.06   0.02
    16   1    -0.07   0.06  -0.10     0.03  -0.03   0.02    -0.05   0.09  -0.20
    17   1    -0.05   0.07  -0.08     0.05  -0.07  -0.00    -0.03  -0.05   0.23
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1076.3636              1078.0788              1084.1326
 Red. masses --      2.1991                 2.1811                 2.2877
 Frc consts  --      1.5011                 1.4936                 1.5842
 IR Inten    --      2.6600                 4.1749                 4.2694
 RamAct Fr= 1--      1.8081                 1.6671                 1.1420
  Dep-P Fr= 1--      0.7275                 0.7434                 0.7489
  Dep-U Fr= 1--      0.8422                 0.8528                 0.8564
 Alpha2 Fr= 1--      0.0007                 0.0002                 0.0000
 Beta2  Fr= 1--      0.2538                 0.2370                 0.1630
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0876                 0.0389                -0.3132
 Delta2 Fr= 1--      0.0466                 0.0323                -0.0041
 Raman1 Fr= 1--       7.232                  6.669                  4.568
 ROA1   Fr= 1--       9.899                  4.771                -30.195
 CID1   Fr= 1--       1.369                  0.715                 -6.610
 Raman2 Fr= 1--       3.046                  2.844                  1.956
 ROA2   Fr= 1--       1.729                  0.676                 -7.483
 CID2   Fr= 1--       0.568                  0.238                 -3.826
 Raman3 Fr= 1--       6.091                  5.687                  3.912
 ROA3   Fr= 1--       9.899                  4.771                -30.195
 CID3   Fr= 1--       1.625                  0.839                 -7.719
 RC180  Fr= 1--       0.684                  0.706                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.01  -0.01     0.01   0.01   0.03
     2   6     0.00  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00  -0.01
     3   6     0.03   0.01  -0.11    -0.10   0.08  -0.02     0.08   0.10  -0.01
     4   6     0.01  -0.00   0.02     0.00   0.00   0.00    -0.03  -0.01  -0.05
     5   6    -0.06   0.03  -0.03    -0.01   0.01   0.00     0.12  -0.05   0.05
     6   1    -0.01  -0.00   0.01     0.04   0.00  -0.02     0.00  -0.01  -0.02
     7   1    -0.02  -0.01  -0.02    -0.02  -0.01   0.03    -0.01  -0.01   0.01
     8   1    -0.02   0.01   0.01     0.02  -0.00  -0.02    -0.02  -0.01   0.03
     9   1    -0.23   0.42   0.22     0.52   0.04  -0.31    -0.19  -0.00   0.06
    10   1     0.07  -0.26  -0.15     0.38  -0.47   0.38     0.02  -0.30  -0.22
    11   1    -0.05  -0.25   0.59    -0.29  -0.06   0.06    -0.26  -0.16   0.24
    12   1     0.03  -0.07  -0.03    -0.01  -0.01  -0.00    -0.07   0.23   0.10
    13   1    -0.03   0.06  -0.01    -0.01   0.02   0.00     0.12  -0.19   0.01
    14   1    -0.03   0.00  -0.03    -0.01  -0.02  -0.02     0.08  -0.03   0.07
    15   1     0.21   0.13   0.14     0.02   0.02   0.00    -0.36  -0.24  -0.23
    16   1    -0.03   0.01  -0.01     0.01   0.01   0.03     0.03   0.00  -0.02
    17   1     0.17  -0.24  -0.01     0.02  -0.03   0.02    -0.30   0.41   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1096.0183              1199.5482              1230.0462
 Red. masses --      2.4221                 2.9025                 3.1545
 Frc consts  --      1.7143                 2.4607                 2.8120
 IR Inten    --      1.2174                 3.0541                 4.1157
 RamAct Fr= 1--      1.4821                 9.1546                 8.4343
  Dep-P Fr= 1--      0.0852                 0.7428                 0.7001
  Dep-U Fr= 1--      0.1570                 0.8525                 0.8236
 Alpha2 Fr= 1--      0.0269                 0.0011                 0.0073
 Beta2  Fr= 1--      0.0388                 1.3006                 1.1577
 AlphaG Fr= 1--      0.0001                 0.0001                -0.0002
 Gamma2 Fr= 1--      0.0291                 0.3639                -0.8079
 Delta2 Fr= 1--      0.0084                 0.2217                -0.4274
 Raman1 Fr= 1--       5.929                 36.618                 33.737
 ROA1   Fr= 1--       3.061                 42.029                -91.235
 CID1   Fr= 1--       0.516                  1.148                 -2.704
 Raman2 Fr= 1--       0.465                 15.608                 13.892
 ROA2   Fr= 1--       0.631                  6.960                -15.971
 CID2   Fr= 1--       1.357                  0.446                 -1.150
 Raman3 Fr= 1--       0.931                 31.215                 27.785
 ROA3   Fr= 1--       3.061                 42.029                -91.235
 CID3   Fr= 1--       3.289                  1.346                 -3.284
 RC180  Fr= 1--      -0.686                  0.705                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.26  -0.20  -0.04     0.18   0.28   0.03
     2   6    -0.02   0.03   0.01    -0.09   0.09   0.01     0.04  -0.07  -0.01
     3   6    -0.11  -0.14  -0.12    -0.06   0.03  -0.00    -0.11  -0.11  -0.06
     4   6     0.07   0.05   0.01    -0.09   0.05  -0.00    -0.08  -0.10  -0.01
     5   6     0.08  -0.01   0.05    -0.04   0.00   0.07    -0.01  -0.09   0.06
     6   1     0.10  -0.02  -0.07    -0.11  -0.29  -0.17    -0.14   0.11   0.15
     7   1     0.01   0.02   0.08     0.05   0.05   0.31    -0.33  -0.24  -0.08
     8   1     0.08  -0.03  -0.04     0.15  -0.25   0.10    -0.26   0.16   0.13
     9   1     0.09   0.40   0.07    -0.05  -0.02  -0.04     0.08   0.16  -0.02
    10   1     0.08   0.22   0.27    -0.07  -0.04  -0.03    -0.04   0.01   0.10
    11   1     0.37   0.02   0.20     0.15   0.11   0.10     0.11  -0.03   0.02
    12   1    -0.10  -0.09   0.00    -0.02   0.27   0.09     0.22   0.13  -0.02
    13   1    -0.23   0.27   0.10     0.05  -0.06  -0.02     0.23  -0.26  -0.17
    14   1     0.03  -0.21  -0.11    -0.03   0.24   0.13    -0.01   0.28   0.16
    15   1    -0.25  -0.13  -0.18     0.06   0.14  -0.22     0.08  -0.01  -0.05
    16   1     0.07  -0.03   0.04    -0.34   0.14  -0.26    -0.17   0.13  -0.08
    17   1    -0.18   0.23   0.08     0.11   0.01  -0.15    -0.02   0.13  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1250.2556              1300.4870              1323.1695
 Red. masses --      3.5823                 1.2988                 1.2908
 Frc consts  --      3.2992                 1.2943                 1.3315
 IR Inten    --      6.6261                 3.3448                 5.4590
 RamAct Fr= 1--      9.8734                 1.0348                 3.2530
  Dep-P Fr= 1--      0.7499                 0.7475                 0.7451
  Dep-U Fr= 1--      0.8570                 0.8555                 0.8539
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      1.4103                 0.1475                 0.4630
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--      0.7828                -0.3662                 0.5803
 Delta2 Fr= 1--      0.2741                -0.1802                 0.2415
 Raman1 Fr= 1--      39.494                  4.139                 13.012
 ROA1   Fr= 1--      83.924                -40.925                 63.437
 CID1   Fr= 1--       2.125                 -9.888                  4.875
 Raman2 Fr= 1--      16.924                  1.770                  5.556
 ROA2   Fr= 1--      16.596                 -7.349                 11.995
 CID2   Fr= 1--       0.981                 -4.151                  2.159
 Raman3 Fr= 1--      33.848                  3.541                 11.112
 ROA3   Fr= 1--      83.924                -40.925                 63.437
 CID3   Fr= 1--       2.479                -11.558                  5.709
 RC180  Fr= 1--       0.714                  0.711                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.38    -0.03  -0.00   0.08     0.00   0.06  -0.02
     2   6     0.03   0.05  -0.13    -0.06  -0.05   0.02    -0.05  -0.02   0.02
     3   6    -0.04  -0.03  -0.08     0.01   0.00  -0.02     0.00  -0.01   0.00
     4   6    -0.01   0.01  -0.13     0.01   0.01  -0.03    -0.01  -0.01   0.01
     5   6    -0.03   0.03  -0.15     0.03  -0.02   0.04    -0.01  -0.07  -0.02
     6   1    -0.18  -0.17  -0.14     0.57   0.36  -0.03    -0.02  -0.03  -0.00
     7   1     0.26   0.09   0.14     0.17   0.11  -0.07     0.42   0.27  -0.04
     8   1     0.04  -0.20   0.22    -0.02   0.08  -0.21     0.10  -0.14  -0.04
     9   1    -0.06  -0.04  -0.09    -0.02  -0.02  -0.01     0.01   0.01   0.01
    10   1     0.07   0.10   0.12     0.02   0.03   0.02    -0.01  -0.01  -0.01
    11   1     0.04  -0.01  -0.02    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    12   1    -0.19   0.30   0.14    -0.06   0.02   0.02     0.04  -0.03  -0.02
    13   1     0.06  -0.29   0.20    -0.00  -0.05   0.06     0.06  -0.02  -0.06
    14   1     0.27  -0.23   0.15     0.05  -0.06   0.01    -0.03  -0.01  -0.02
    15   1     0.03  -0.01   0.17     0.08   0.04  -0.06     0.16   0.06  -0.15
    16   1     0.10   0.04   0.02    -0.42   0.17  -0.42     0.09   0.68   0.35
    17   1    -0.06  -0.07   0.01     0.10   0.02  -0.12    -0.16  -0.04   0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1329.2002              1349.8641              1411.9459
 Red. masses --      1.3715                 1.4846                 1.2327
 Frc consts  --      1.4277                 1.5938                 1.4479
 IR Inten    --      4.3034                 2.5941                 5.2959
 RamAct Fr= 1--      2.4172                 4.2065                 0.1578
  Dep-P Fr= 1--      0.7282                 0.7198                 0.5672
  Dep-U Fr= 1--      0.8427                 0.8371                 0.7239
 Alpha2 Fr= 1--      0.0009                 0.0022                 0.0005
 Beta2  Fr= 1--      0.3395                 0.5869                 0.0190
 AlphaG Fr= 1--      0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--      0.0031                -0.4861                 0.0441
 Delta2 Fr= 1--      0.2475                -0.3887                 0.0264
 Raman1 Fr= 1--       9.669                 16.826                  0.631
 ROA1   Fr= 1--       8.221                -59.099                  5.081
 CID1   Fr= 1--       0.850                 -3.512                  8.051
 Raman2 Fr= 1--       4.074                  7.042                  0.228
 ROA2   Fr= 1--      -1.904                 -8.556                  0.848
 CID2   Fr= 1--      -0.467                 -1.215                  3.714
 Raman3 Fr= 1--       8.148                 14.085                  0.457
 ROA3   Fr= 1--       8.221                -59.099                  5.081
 CID3   Fr= 1--       1.009                 -4.196                 11.122
 RC180  Fr= 1--       0.685                  0.674                  0.448
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.03     0.13  -0.05   0.02    -0.01   0.02   0.00
     2   6    -0.08  -0.03   0.02    -0.06  -0.03   0.02    -0.01  -0.01  -0.00
     3   6    -0.01  -0.02  -0.00    -0.02   0.00  -0.00     0.00   0.00   0.00
     4   6    -0.02  -0.02   0.02    -0.03   0.01  -0.01     0.07  -0.12  -0.03
     5   6    -0.01   0.04   0.01    -0.05   0.03  -0.07    -0.00   0.00  -0.01
     6   1    -0.01   0.02   0.02     0.54   0.36  -0.02    -0.00   0.07   0.04
     7   1     0.59   0.35   0.02    -0.16  -0.10   0.06     0.09   0.03   0.06
     8   1     0.12  -0.19  -0.06    -0.09   0.13  -0.16     0.01  -0.02  -0.03
     9   1     0.02   0.03   0.00    -0.03  -0.02  -0.01     0.00  -0.01   0.00
    10   1    -0.01  -0.02   0.00    -0.02  -0.01  -0.02     0.00  -0.01  -0.01
    11   1    -0.01  -0.02   0.00     0.03   0.02   0.02    -0.02  -0.00  -0.01
    12   1     0.13  -0.04  -0.06     0.05   0.07  -0.01    -0.19   0.40   0.36
    13   1     0.10  -0.05  -0.10     0.02  -0.04   0.01    -0.43   0.35   0.03
    14   1    -0.01  -0.01   0.02     0.04   0.03   0.08    -0.10   0.56  -0.01
    15   1    -0.14  -0.08   0.15    -0.07  -0.00   0.04    -0.00  -0.00   0.02
    16   1     0.11  -0.57  -0.06     0.43  -0.11   0.45     0.03  -0.02   0.02
    17   1     0.07   0.04  -0.10    -0.12  -0.04   0.11    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.4628              1498.4072              1501.1632
 Red. masses --      1.0750                 1.0530                 1.0598
 Frc consts  --      1.3751                 1.3930                 1.4071
 IR Inten    --      2.9149                 5.0844                 6.6878
 RamAct Fr= 1--      4.6461                 4.1960                 2.4244
  Dep-P Fr= 1--      0.7493                 0.7500                 0.7495
  Dep-U Fr= 1--      0.8567                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.6634                 0.5994                 0.3462
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0100                 0.0041                 0.0097
 Delta2 Fr= 1--      0.0245                -0.0019                -0.0059
 Raman1 Fr= 1--      18.584                 16.784                  9.698
 ROA1   Fr= 1--       1.745                  0.335                  0.744
 CID1   Fr= 1--       0.094                  0.020                  0.077
 Raman2 Fr= 1--       7.961                  7.193                  4.155
 ROA2   Fr= 1--       0.045                  0.114                  0.281
 CID2   Fr= 1--       0.006                  0.016                  0.068
 Raman3 Fr= 1--      15.921                 14.386                  8.309
 ROA3   Fr= 1--       1.745                  0.335                  0.744
 CID3   Fr= 1--       0.110                  0.023                  0.090
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.01   0.02  -0.03    -0.03  -0.01  -0.02
     2   6     0.01  -0.02  -0.06    -0.00  -0.00   0.01     0.01  -0.00  -0.02
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.02   0.01     0.02   0.02  -0.04    -0.04  -0.01  -0.02
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
     6   1    -0.28   0.49   0.34    -0.02  -0.01   0.01    -0.12   0.16   0.12
     7   1     0.13  -0.16   0.62     0.03   0.02  -0.01     0.05  -0.05   0.22
     8   1     0.02  -0.01  -0.06     0.01  -0.01  -0.00     0.02  -0.01  -0.02
     9   1    -0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.00   0.00
    10   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.01     0.01  -0.00  -0.00
    11   1     0.01   0.00   0.01    -0.00  -0.00   0.01    -0.01  -0.00  -0.00
    12   1    -0.19  -0.09   0.04    -0.24  -0.43  -0.17     0.54   0.12  -0.20
    13   1     0.14  -0.09  -0.02    -0.15  -0.30   0.62    -0.30   0.20   0.08
    14   1    -0.14  -0.01  -0.18     0.13   0.39   0.23     0.40  -0.11   0.47
    15   1     0.01   0.00  -0.01    -0.01  -0.00  -0.00     0.01   0.01  -0.01
    16   1    -0.02   0.03  -0.01     0.02  -0.01   0.02    -0.03   0.04  -0.01
    17   1     0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9595              2206.9078              2245.0204
 Red. masses --      2.1312                 2.1898                 2.2673
 Frc consts  --      5.9125                 6.2839                 6.7328
 IR Inten    --     15.7899                13.2825                15.1325
 RamAct Fr= 1--     68.8554                71.8947                59.6160
  Dep-P Fr= 1--      0.0021                 0.0582                 0.1722
  Dep-U Fr= 1--      0.0042                 0.1100                 0.2939
 Alpha2 Fr= 1--      1.5226                 1.3926                 0.8706
 Beta2  Fr= 1--      0.0485                 1.3184                 2.9198
 AlphaG Fr= 1--     -0.0001                 0.0002                 0.0000
 Gamma2 Fr= 1--      0.0375                -0.4097                 0.6286
 Delta2 Fr= 1--      0.0344                -0.3784                 0.5776
 Raman1 Fr= 1--     275.422                287.579                238.464
 ROA1   Fr= 1--       4.700                -51.441                 78.829
 CID1   Fr= 1--       0.017                 -0.179                  0.331
 Raman2 Fr= 1--       0.581                 15.821                 35.038
 ROA2   Fr= 1--       0.625                 -6.806                 10.465
 CID2   Fr= 1--       1.074                 -0.430                  0.299
 Raman3 Fr= 1--       1.163                 31.642                 70.076
 ROA3   Fr= 1--       4.700                -51.441                 78.829
 CID3   Fr= 1--       4.042                 -1.626                  1.125
 RC180  Fr= 1--      -0.992                 -0.780                 -0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.11  -0.10  -0.06
     3   6    -0.07  -0.07  -0.05    -0.01  -0.00  -0.00     0.00   0.00   0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00     0.13  -0.03   0.04    -0.01   0.01   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.03   0.03  -0.07
     7   1    -0.00  -0.01  -0.00     0.00  -0.01   0.00     0.03  -0.07  -0.03
     8   1     0.01   0.01   0.01     0.03   0.03   0.02     0.64   0.60   0.43
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02    -0.01   0.01  -0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.03     0.01   0.00  -0.00
    11   1    -0.26   0.49   0.15    -0.01   0.03   0.01     0.01  -0.02  -0.01
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    13   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
    15   1     0.02  -0.04  -0.01    -0.33   0.59   0.17     0.02  -0.04  -0.01
    16   1    -0.01  -0.00   0.00     0.08   0.02  -0.07     0.00  -0.00   0.01
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1952              2284.5529              2285.8701
 Red. masses --      2.3739                 2.3769                 2.3787
 Frc consts  --      7.2913                 7.3090                 7.3232
 IR Inten    --      7.7631                15.7732                24.9812
 RamAct Fr= 1--     17.6640                36.9203                55.5696
  Dep-P Fr= 1--      0.7490                 0.7498                 0.7496
  Dep-U Fr= 1--      0.8565                 0.8570                 0.8569
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0004
 Beta2  Fr= 1--      2.5215                 5.2735                 7.9360
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -1.5019                 0.3060                 0.9793
 Delta2 Fr= 1--     -1.3731                 0.2774                 0.8901
 Raman1 Fr= 1--      70.656                147.681                222.278
 ROA1   Fr= 1--    -188.118                 38.254                122.497
 CID1   Fr= 1--      -2.662                  0.259                  0.551
 Raman2 Fr= 1--      30.258                 63.282                 95.232
 ROA2   Fr= 1--     -25.060                  5.124                 16.382
 CID2   Fr= 1--      -0.828                  0.081                  0.172
 Raman3 Fr= 1--      60.516                126.565                190.465
 ROA3   Fr= 1--    -188.118                 38.254                122.497
 CID3   Fr= 1--      -3.109                  0.302                  0.643
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6     0.08  -0.11   0.03    -0.10  -0.02   0.16     0.08  -0.10   0.03
     4   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.01   0.12   0.06    -0.00   0.00  -0.00    -0.02  -0.12  -0.06
     6   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
     8   1    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     9   1    -0.17   0.19  -0.38    -0.18   0.21  -0.40    -0.16   0.19  -0.37
    10   1    -0.06  -0.02   0.05     0.61   0.17  -0.48    -0.05  -0.02   0.04
    11   1    -0.24   0.45   0.14     0.14  -0.27  -0.08    -0.23   0.44   0.14
    12   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    13   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    15   1     0.23  -0.41  -0.12     0.01  -0.01  -0.00    -0.24   0.42   0.12
    16   1     0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.00  -0.01  -0.00
    17   1    -0.32  -0.29  -0.23     0.00   0.00  -0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2236              3044.0624              3064.2180
 Red. masses --      1.0345                 1.0602                 1.0831
 Frc consts  --      5.5632                 5.7882                 5.9917
 IR Inten    --     32.1650                30.5835                23.6549
 RamAct Fr= 1--    136.5850               139.6917               103.6640
  Dep-P Fr= 1--      0.0011                 0.0716                 0.1777
  Dep-U Fr= 1--      0.0022                 0.1336                 0.3018
 Alpha2 Fr= 1--      3.0275                 2.6204                 1.4924
 Beta2  Fr= 1--      0.0495                 3.1105                 5.2150
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0009
 Gamma2 Fr= 1--      0.0470                -1.6690                 1.1785
 Delta2 Fr= 1--      0.0423                -1.5142                 1.0749
 Raman1 Fr= 1--     546.340                558.767                414.656
 ROA1   Fr= 1--       5.865               -208.680                147.533
 CID1   Fr= 1--       0.011                 -0.373                  0.356
 Raman2 Fr= 1--       0.594                 37.326                 62.580
 ROA2   Fr= 1--       0.790                -27.942                 19.685
 CID2   Fr= 1--       1.330                 -0.749                  0.315
 Raman3 Fr= 1--       1.187                 74.653                125.160
 ROA3   Fr= 1--       5.865               -208.680                147.533
 CID3   Fr= 1--       4.939                 -2.795                  1.179
 RC180  Fr= 1--      -0.996                 -0.733                 -0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.01     0.01  -0.02  -0.06     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.06  -0.02   0.05
     6   1    -0.02   0.03  -0.05     0.24  -0.32   0.57     0.00  -0.01   0.01
     7   1     0.03  -0.05  -0.01    -0.34   0.59   0.17    -0.04   0.06   0.02
     8   1    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00  -0.00
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.21  -0.25   0.47     0.01  -0.01   0.02     0.02  -0.02   0.04
    13   1    -0.37  -0.35  -0.26    -0.05  -0.05  -0.03    -0.05  -0.05  -0.04
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03    -0.05  -0.01   0.04
    15   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
    16   1    -0.03  -0.01   0.02    -0.05  -0.01   0.04     0.73   0.21  -0.62
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.7872              3083.8082              3085.2243
 Red. masses --      1.1023                 1.1015                 1.1014
 Frc consts  --      6.1680                 6.1716                 6.1769
 IR Inten    --     16.4574                38.2726                54.5301
 RamAct Fr= 1--     34.7363                76.2529               102.2957
  Dep-P Fr= 1--      0.7452                 0.7312                 0.7497
  Dep-U Fr= 1--      0.8540                 0.8447                 0.8570
 Alpha2 Fr= 1--      0.0029                 0.0245                 0.0005
 Beta2  Fr= 1--      4.9439                10.7357                14.6106
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--      8.2678                -1.5864                -6.2923
 Delta2 Fr= 1--      7.5467                -1.4435                -5.7379
 Raman1 Fr= 1--     138.945                305.012                409.183
 ROA1   Fr= 1--    1035.201               -198.481               -787.672
 CID1   Fr= 1--       7.450                 -0.651                 -1.925
 Raman2 Fr= 1--      59.327                128.829                175.327
 ROA2   Fr= 1--     138.053                -26.525               -105.111
 CID2   Fr= 1--       2.327                 -0.206                 -0.600
 Raman3 Fr= 1--     118.655                257.658                350.654
 ROA3   Fr= 1--    1035.201               -198.481               -787.672
 CID3   Fr= 1--       8.724                 -0.770                 -2.246
 RC180  Fr= 1--       0.708                  0.689                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.03  -0.05   0.02    -0.00   0.01  -0.00    -0.03   0.05  -0.02
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.01   0.01  -0.06    -0.08  -0.04  -0.00    -0.00   0.02  -0.07
     5   6     0.00   0.00  -0.00    -0.01  -0.00   0.01     0.00   0.00  -0.00
     6   1    -0.17   0.22  -0.42     0.03  -0.04   0.07     0.16  -0.21   0.41
     7   1    -0.25   0.44   0.15     0.02  -0.03  -0.01     0.22  -0.39  -0.13
     8   1     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.20  -0.25   0.45     0.02  -0.06   0.09     0.22  -0.27   0.47
    13   1     0.17   0.17   0.11     0.46   0.46   0.35     0.12   0.12   0.07
    14   1    -0.23  -0.06   0.17     0.48   0.12  -0.41    -0.31  -0.08   0.24
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.04  -0.01   0.04     0.07   0.02  -0.06    -0.01  -0.00   0.01
    17   1     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   2.01410
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   2.01410
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   445.96566 478.64930 494.37923
           X            0.78427  -0.06792  -0.61669
           Y            0.39526   0.82087   0.41225
           Z            0.47822  -0.56707   0.67063
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19422     0.18095     0.17520
 Rotational constants (GHZ):           4.04682     3.77049     3.65052
 Zero-point vibrational energy     366683.2 (Joules/Mol)
                                   87.63939 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    233.54   294.59   334.06   381.18   431.76
          (Kelvin)            437.46   541.61   544.69   563.07   980.80
                             1084.04  1119.13  1144.29  1168.64  1274.25
                             1323.26  1427.42  1458.88  1548.65  1551.11
                             1559.83  1576.93  1725.88  1769.76  1798.84
                             1871.11  1903.75  1912.42  1942.15  2031.48
                             2119.98  2155.87  2159.84  3122.09  3175.25
                             3230.08  3285.01  3286.96  3288.86  4346.87
                             4379.73  4408.73  4434.00  4436.91  4438.95
 
 Zero-point correction=                           0.139662 (Hartree/Particle)
 Thermal correction to Energy=                    0.147314
 Thermal correction to Enthalpy=                  0.148258
 Thermal correction to Gibbs Free Energy=         0.109603
 Sum of electronic and zero-point Energies=           -197.732195
 Sum of electronic and thermal Energies=              -197.724543
 Sum of electronic and thermal Enthalpies=            -197.723599
 Sum of electronic and thermal Free Energies=         -197.762254
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.041             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.663             23.079             16.215
 Vibration     1          0.622              1.889              2.523
 Vibration     2          0.640              1.833              2.090
 Vibration     3          0.653              1.792              1.862
 Vibration     4          0.671              1.737              1.629
 Vibration     5          0.693              1.674              1.416
 Vibration     6          0.695              1.666              1.395
 Vibration     7          0.747              1.520              1.053
 Vibration     8          0.749              1.516              1.045
 Vibration     9          0.759              1.489              0.995
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385734D-50        -50.413712       -116.081863
 Total V=0       0.670519D+14         13.826411         31.836488
 Vib (Bot)       0.122197D-62        -62.912941       -144.862401
 Vib (Bot)    1  0.124459D+01          0.095026          0.218806
 Vib (Bot)    2  0.972050D+00         -0.012311         -0.028348
 Vib (Bot)    3  0.847479D+00         -0.071871         -0.165489
 Vib (Bot)    4  0.731332D+00         -0.135885         -0.312887
 Vib (Bot)    5  0.633709D+00         -0.198110         -0.456165
 Vib (Bot)    6  0.624047D+00         -0.204783         -0.471530
 Vib (Bot)    7  0.481496D+00         -0.317407         -0.730856
 Vib (Bot)    8  0.478068D+00         -0.320510         -0.738002
 Vib (Bot)    9  0.458298D+00         -0.338852         -0.780235
 Vib (V=0)       0.212414D+02          1.327183          3.055951
 Vib (V=0)    1  0.184127D+01          0.265117          0.610455
 Vib (V=0)    2  0.159311D+01          0.202245          0.465686
 Vib (V=0)    3  0.148398D+01          0.171429          0.394729
 Vib (V=0)    4  0.138592D+01          0.141737          0.326361
 Vib (V=0)    5  0.130721D+01          0.116345          0.267895
 Vib (V=0)    6  0.129965D+01          0.113825          0.262092
 Vib (V=0)    7  0.119415D+01          0.077057          0.177431
 Vib (V=0)    8  0.119177D+01          0.076193          0.175442
 Vib (V=0)    9  0.117826D+01          0.071241          0.164039
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116288D+06          5.065535         11.663826
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 111 1111  1                                         
   000000                            2222 21                          544 4 3333 222 0000  09  98 8777  6          333 33 222 1      
   888642                            8884 07                          097 1 5220 530 9877  19  28 1975  8          977 00 630 6      
   542441                            6535 70                          183 2 0930 000 6486  42  06 2583  2          196 40 525 2      
 
   XXXXXX                            XXXX XX                          XXX X XXXX XXX XXXX  XX  XX XXXX              X                
   XXXXXX                            XXXX XX                          XX  X  XX  XX   XX                                             
   XXXXXX                            XXXX XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X  X                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX  XX                                                                                                                            
   XX  XX                                                                                                                            
   XX   X                                                                                                                            
   XX                                                                                                                                
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.739953D-04  0.346379D-03
      2   0.739953D-04  0.660159D+02 -0.259312D-03
      3   0.346379D-03 -0.259312D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.615534D-03  0.229365D-02 -0.246227D-03
      2  -0.262878D-02  0.169083D-03 -0.916987D-04
      3  -0.819157D-03  0.838734D-03  0.199939D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.401077D+00  0.203968D-01  0.145160D+01
      2   0.184180D+01 -0.112994D+01 -0.529484D+00
      3  -0.144073D+01  0.110954D+01 -0.922114D+00
      4   0.188588D-01  0.184194D+01  0.195452D+01
      5   0.145213D+01  0.195454D+01 -0.143879D+01
      6   0.195494D+01 -0.528523D+00  0.110697D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105782D+01  0.710120D-01  0.387925D+01  0.694609D-01  0.491265D+01
      2   0.710120D-01  0.491127D+01  0.523020D+01  0.491265D+01 -0.301864D+01
      3   0.387925D+01  0.523020D+01 -0.384760D+01  0.522114D+01 -0.142348D+01
                 6             7             8             9            10 
      1   0.522114D+01  0.387446D+01  0.522395D+01 -0.384390D+01 -0.908322D+00
      2  -0.142348D+01  0.522395D+01 -0.142280D+01  0.295159D+01 -0.872778D-01
      3   0.295264D+01 -0.384390D+01  0.295159D+01 -0.244711D+01 -0.267998D+01
                11            12            13            14            15 
      1  -0.872778D-01 -0.267998D+01  0.188528D+00 -0.472570D+01 -0.402771D+01
      2  -0.371499D+01 -0.403009D+01 -0.472570D+01  0.140862D+01  0.200058D+01
      3  -0.403009D+01  0.328571D+01 -0.402771D+01  0.200058D+01 -0.198766D+01
                16            17            18            19            20 
      1  -0.350865D+01 -0.402797D+01  0.227673D+01  0.244853D+01  0.316666D+00
      2  -0.402797D+01  0.116859D+01 -0.226839D+01  0.316666D+00 -0.396904D+01
      3   0.227673D+01 -0.226839D+01  0.344140D+01 -0.253135D+01 -0.424212D+01
                21            22            23            24            25 
      1  -0.253135D+01 -0.503081D+00 -0.310684D+01 -0.423975D+01 -0.313174D+01
      2  -0.424212D+01 -0.310684D+01  0.385073D+01  0.133268D+01 -0.424033D+01
      3   0.264741D+01 -0.423975D+01  0.133268D+01 -0.224950D+01  0.350830D+01
                26            27            28            29            30 
      1  -0.424033D+01  0.350830D+01  0.223645D+01 -0.971715D+00 -0.307124D+01
      2   0.724866D+00 -0.142591D+01 -0.971715D+00 -0.426832D+01 -0.403415D+01
      3  -0.142591D+01  0.320530D+01 -0.307124D+01 -0.403415D+01  0.285611D+01
                31            32            33            34            35 
      1   0.158979D+00 -0.363959D+01 -0.403530D+01 -0.273619D+01 -0.403491D+01
      2  -0.363959D+01  0.625921D+00  0.107339D+01 -0.403491D+01  0.141182D+01
      3  -0.403530D+01  0.107339D+01 -0.227800D+01  0.348995D+01 -0.341139D+01
                36            37            38            39            40 
      1   0.348995D+01 -0.448465D+00  0.544076D+00 -0.389617D+01 -0.428286D-01
      2  -0.341139D+01  0.544076D+00 -0.347793D+01 -0.411752D+01 -0.396566D+01
      3   0.870165D+00 -0.389617D+01 -0.411752D+01  0.329556D+01 -0.411473D+01
                41            42            43            44            45 
      1  -0.396566D+01 -0.411473D+01 -0.279787D+01 -0.411663D+01  0.280400D+01
      2   0.357869D+01  0.602797D-01 -0.411663D+01  0.116270D+01 -0.217421D+01
      3   0.602797D-01 -0.276678D+01  0.280400D+01 -0.217421D+01  0.175641D+00
                46            47            48            49            50 
      1  -0.734050D+00  0.460730D+00 -0.660130D+00  0.680194D+00  0.274848D+00
      2   0.460730D+00 -0.513074D+00  0.102650D+01  0.274848D+00  0.187826D+01
      3  -0.660130D+00  0.102650D+01 -0.222743D+01  0.362005D+00 -0.215545D+01
                51            52            53            54            55 
      1   0.362005D+00 -0.997619D+00  0.407063D+00 -0.357972D+00  0.329435D+01
      2  -0.215545D+01  0.407063D+00 -0.203638D+01  0.259633D+01 -0.187520D+01
      3   0.279618D+01 -0.357972D+00  0.259633D+01 -0.722307D+01 -0.106797D+01
                56            57            58            59            60 
      1  -0.187520D+01 -0.106797D+01 -0.326833D+01  0.287278D+01  0.180161D+01
      2   0.212730D+01  0.106994D+01  0.287278D+01 -0.451605D+01 -0.175474D+01
      3   0.106994D+01  0.844858D+00  0.180161D+01 -0.175474D+01 -0.190421D+01
                61            62            63            64            65 
      1  -0.695321D+00  0.996797D+00  0.963470D+00  0.508141D+01  0.247631D+01
      2   0.996797D+00 -0.111557D+01 -0.954768D+00  0.247631D+01  0.243212D+01
      3   0.963470D+00 -0.954768D+00 -0.175962D+01  0.854808D+00  0.728282D+00
                66            67            68            69            70 
      1   0.854808D+00  0.309044D+01  0.290849D+01  0.661218D+00  0.247626D+01
      2   0.728282D+00  0.290849D+01  0.316925D+01  0.374768D+00  0.141735D+01
      3   0.777702D+00  0.661218D+00  0.374768D+00  0.118784D+01  0.796489D+00
                71            72            73            74            75 
      1   0.141735D+01  0.796489D+00 -0.236454D+01  0.322147D+00 -0.170801D+01
      2   0.127621D+01  0.997895D+00  0.322147D+00 -0.241718D+00  0.661547D+00
      3   0.997895D+00  0.914012D+00 -0.170801D+01  0.661547D+00 -0.225591D+01
                76            77            78            79            80 
      1   0.134252D+01 -0.339840D+00  0.138850D+01 -0.216476D+01  0.584601D+00
      2  -0.339840D+00  0.832798D+00 -0.121000D+01  0.584601D+00 -0.139673D+01
      3   0.138850D+01 -0.121000D+01  0.234583D+01 -0.298743D+01  0.885075D+00
                81            82            83            84            85 
      1  -0.298743D+01 -0.623215D+01 -0.196695D+01  0.195317D+01 -0.121187D+01
      2   0.885075D+00 -0.196695D+01 -0.135064D+01  0.866379D+00 -0.111984D+01
      3  -0.653184D+01  0.195317D+01  0.866379D+00 -0.187995D+01  0.807219D+00
                86            87            88            89            90 
      1  -0.111984D+01  0.807219D+00  0.354617D+01  0.156373D+01 -0.209512D+01
      2  -0.157689D+01  0.503704D+00  0.156373D+01  0.137812D+01 -0.629714D+00
      3   0.503704D+00 -0.301106D+00 -0.209512D+01 -0.629714D+00  0.191749D+01
                91            92            93            94            95 
      1   0.106332D+01 -0.124281D+01 -0.223175D+00 -0.137771D+01  0.117255D+01
      2  -0.124281D+01  0.302054D+01  0.122036D+01  0.117255D+01 -0.758122D+01
      3  -0.223175D+00  0.122036D+01  0.783586D+00  0.555181D+00 -0.221327D+01
                96            97            98            99           100 
      1   0.555181D+00 -0.155432D+00  0.600921D+00  0.149580D-01 -0.209128D+01
      2  -0.221327D+01  0.600921D+00 -0.169252D+01 -0.141334D+01  0.146938D+01
      3  -0.155855D+01  0.149580D-01 -0.141334D+01 -0.155022D+01 -0.102243D+01
               101           102           103           104           105 
      1   0.146938D+01 -0.102243D+01  0.109846D+01 -0.105472D+01  0.108857D+01
      2  -0.108108D+01  0.115076D+01 -0.105472D+01  0.308098D+01 -0.181724D+01
      3   0.115076D+01 -0.152481D+01  0.108857D+01 -0.181724D+01  0.180574D+01
               106           107           108           109           110 
      1  -0.186158D+01  0.184789D+01 -0.194756D+01  0.210289D+01  0.178458D+01
      2   0.184789D+01 -0.338089D+01  0.259786D+01  0.178458D+01  0.362548D+01
      3  -0.194756D+01  0.259786D+01 -0.414418D+01  0.129555D+01  0.165854D+01
               111           112           113           114           115 
      1   0.129555D+01  0.140772D+01  0.180496D+01  0.996516D+00  0.124339D+01
      2   0.165854D+01  0.180496D+01  0.492860D+01  0.184261D+01  0.104043D+01
      3   0.133623D+01  0.996516D+00  0.184261D+01  0.174112D+01  0.598874D+00
               116           117           118           119           120 
      1   0.104043D+01  0.598874D+00 -0.559659D+01  0.631562D+00  0.303474D+01
      2   0.223588D+01  0.214358D+01  0.631562D+00 -0.907188D+00  0.135347D-01
      3   0.214358D+01  0.206820D+01  0.303474D+01  0.135347D-01 -0.277728D+01
               121           122           123           124           125 
      1  -0.869560D+00 -0.366048D+00  0.739154D+00  0.325599D+01 -0.623350D-01
      2  -0.366048D+00 -0.334050D+00  0.450040D+00 -0.623350D-01  0.944225D+00
      3   0.739154D+00  0.450040D+00 -0.421050D+00 -0.287592D+01  0.639867D+00
               126           127           128           129           130 
      1  -0.287592D+01  0.248242D+01 -0.222037D+01  0.498360D+00 -0.236866D+01
      2   0.639867D+00 -0.222037D+01  0.290318D+01  0.144185D+00  0.307664D+01
      3   0.335598D+01  0.498360D+00  0.144185D+00  0.483992D+00  0.784197D-01
               131           132           133           134           135 
      1   0.307664D+01  0.784197D-01 -0.439796D+00  0.837618D+00  0.201116D+00
      2  -0.682450D+01  0.402974D+00  0.837618D+00 -0.125507D+01 -0.571650D+00
      3   0.402974D+00 -0.115178D+01  0.201116D+00 -0.571650D+00 -0.446364D+00
               136           137           138           139           140 
      1  -0.319269D+01 -0.969583D+00  0.265694D+01 -0.640675D+00 -0.467218D+00
      2  -0.969583D+00 -0.118648D+01  0.153878D+01 -0.467218D+00 -0.137370D+01
      3   0.265694D+01  0.153878D+01 -0.408280D+01  0.872165D+00  0.121101D+01
               141           142           143           144           145 
      1   0.872165D+00  0.207990D+01  0.916680D+00 -0.227935D+01  0.391653D+01
      2   0.121101D+01  0.916680D+00  0.107622D+01 -0.120360D+01  0.125745D+01
      3  -0.886764D+00 -0.227935D+01 -0.120360D+01  0.495957D+01  0.268764D+01
               146           147           148           149           150 
      1   0.125745D+01  0.268764D+01  0.224640D+01  0.176253D+01  0.184578D+01
      2   0.169057D+01  0.111487D+01  0.176253D+01  0.187120D+01  0.132215D+01
      3   0.111487D+01  0.228463D+01  0.184578D+01  0.132215D+01  0.267605D+01
               151           152           153 
      1   0.201279D+01  0.104515D+01  0.173336D+01
      2   0.104515D+01  0.921315D+00  0.124079D+01
      3   0.173336D+01  0.124079D+01  0.319464D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114860D-01  0.488384D-03  0.462745D-02  0.765551D-03 -0.153472D-01
      2   0.876091D-02  0.127640D-01  0.490743D+01  0.138272D-01  0.383881D-02
      3  -0.223117D-01 -0.490456D+01 -0.469560D-02  0.490958D+01 -0.215914D-01
                 6             7             8             9            10 
      1  -0.490584D+01  0.178703D-01  0.490501D+01 -0.753419D-02  0.114234D+01
      2   0.731132D-02 -0.490462D+01 -0.725841D-02  0.541779D-02 -0.674842D+01
      3  -0.389314D-02  0.439014D-02 -0.468019D-02 -0.123189D-01 -0.904369D+00
                11            12            13            14            15 
      1   0.658044D+01  0.359279D+01  0.821302D+01 -0.182202D+01 -0.424987D+01
      2  -0.602736D+01  0.335545D+01 -0.557813D+01 -0.264090D+01 -0.762277D+01
      3   0.413579D+01  0.488456D+01  0.982233D+01 -0.310098D+01 -0.556938D+01
                16            17            18            19            20 
      1   0.414781D+01  0.806917D+00  0.698965D+00 -0.313550D+01 -0.198298D+01
      2  -0.351152D+01 -0.817141D+01  0.937360D+01  0.626395D+01  0.601327D+01
      3   0.443092D+01 -0.394417D+01  0.402301D+01 -0.408705D+01 -0.716019D+01
                21            22            23            24            25 
      1   0.717050D+01 -0.299334D+01 -0.287930D+01 -0.535735D+01  0.854738D+01
      2  -0.358848D+01  0.504724D+01 -0.415768D+01 -0.150719D+01 -0.929033D+01
      3  -0.287591D+01 -0.847015D+00  0.977399D+01  0.715211D+01 -0.190869D+01
                26            27            28            29            30 
      1   0.230464D+00  0.600650D+01  0.432531D+01  0.447708D+01 -0.696024D+01
      2  -0.288579D+01 -0.212257D+01  0.111678D+01  0.450168D+01  0.545864D+00
      3   0.614475D+01 -0.566190D+01  0.433452D+01 -0.851269D+01 -0.882634D+01
                31            32            33            34            35 
      1   0.489003D+01 -0.228433D+01  0.325206D+01 -0.834218D+01  0.951222D+01
      2   0.376106D+01  0.762288D+00  0.449105D+01 -0.401037D+01  0.587162D+01
      3  -0.170157D+01 -0.681057D+01 -0.565472D+01 -0.808683D+01 -0.523996D+01
                36            37            38            39            40 
      1  -0.202268D+01 -0.231660D+01 -0.906567D+01 -0.382255D+01 -0.100996D+02
      2  -0.186391D+01 -0.643377D+00 -0.450582D+01  0.114285D+02 -0.325311D+01
      3   0.247190D+01  0.674697D+00 -0.209303D+00  0.682390D+01  0.447729D+01
                41            42            43            44            45 
      1   0.700102D+01 -0.539321D+01 -0.437939D+01  0.118695D+01 -0.468734D+01
      2   0.603283D+01  0.465119D+01  0.506948D+01  0.520390D+01 -0.540060D+01
      3   0.146514D+00  0.406314D+01  0.557722D+01  0.303783D+01 -0.823449D+00
                46            47            48            49            50 
      1  -0.297974D+00  0.896397D+00  0.924525D-01 -0.370985D+00 -0.213945D+01
      2  -0.275537D+01  0.174125D+01 -0.237214D+01  0.268400D+01 -0.243694D+01
      3  -0.140661D+01 -0.543011D-01 -0.144610D+01  0.141251D+01 -0.198655D+01
                51            52            53            54            55 
      1  -0.643065D-01 -0.406639D+00  0.397368D+01  0.673639D+00  0.249407D+01
      2   0.433098D+01 -0.504961D+01  0.421465D+01 -0.977621D+01  0.246434D+01
      3   0.278317D+01 -0.223856D+01  0.278814D+01 -0.382090D+01  0.271091D+01
                56            57            58            59            60 
      1  -0.371871D+01 -0.751156D+00 -0.350981D+01  0.678975D+01  0.745722D-01
      2  -0.583389D+00  0.156728D+01 -0.195683D+01  0.920829D+00 -0.183394D+01
      3  -0.558233D+01 -0.189439D+01 -0.244315D+01  0.884078D+01  0.259229D+01
                61            62            63            64            65 
      1  -0.153053D+01  0.278300D+01  0.100219D+01 -0.317911D+01 -0.288360D+01
      2  -0.770354D+00  0.477340D-01 -0.155141D+01  0.616458D+01  0.406375D+01
      3  -0.139364D+01  0.264569D+01  0.150633D+01 -0.498118D+00 -0.460569D+01
                66            67            68            69            70 
      1  -0.245511D+01 -0.325855D+01 -0.308058D+01 -0.295356D+01 -0.166675D+01
      2   0.454101D+01  0.409994D+01  0.379890D+01  0.410536D+01  0.224650D+01
      3  -0.898383D+00 -0.867103D+00 -0.418278D+01 -0.517946D+00 -0.208503D+00
                71            72            73            74            75 
      1  -0.804331D+00 -0.225586D+01 -0.204714D+01  0.196971D+01 -0.323680D+01
      2   0.281746D+01  0.316805D+01 -0.735208D+00 -0.629104D+00  0.276538D+01
      3  -0.201140D+01 -0.116127D+01  0.242572D+01 -0.200860D+01  0.265497D+01
                76            77            78            79            80 
      1   0.143035D+01 -0.309572D+01  0.242876D+01 -0.361109D+01  0.534777D+01
      2   0.504923D+00  0.123618D+01 -0.205030D+01 -0.962852D+00 -0.918360D+00
      3  -0.481139D+00  0.198321D+01 -0.265606D+01  0.258149D+01 -0.375058D+01
                81            82            83            84            85 
      1  -0.738624D+01  0.390706D+01  0.117515D+01 -0.391943D+01  0.175676D+01
      2   0.600145D+01 -0.635912D+01 -0.245324D+01  0.680951D+01 -0.202133D+01
      3   0.454445D+01  0.509803D+01 -0.186179D+01 -0.143992D+01  0.137575D+01
                86            87            88            89            90 
      1   0.128980D+01 -0.174469D+01 -0.328549D+01 -0.137062D-01  0.330619D+01
      2  -0.132414D+01  0.167325D+01  0.359444D+01  0.153470D+01 -0.545851D+01
      3  -0.101910D+01 -0.454801D+00 -0.259435D+01  0.124355D+01  0.175963D+01
                91            92            93            94            95 
      1   0.854324D+00 -0.142063D+01  0.941200D+00 -0.574735D+00  0.432012D+01
      2   0.164111D+01 -0.214563D+01  0.171260D+00 -0.286459D+01  0.368752D+01
      3  -0.393944D+01  0.344641D+01  0.129820D+01  0.646398D+01 -0.946089D+01
                96            97            98            99           100 
      1  -0.268527D+01 -0.531788D+00  0.109227D+01 -0.114726D+01  0.202907D+01
      2   0.169034D+01 -0.121189D+01  0.190974D+01  0.132638D+01  0.926604D+00
      3  -0.310168D+01  0.167056D+01 -0.282151D+01 -0.140162D+01 -0.225705D+01
               101           102           103           104           105 
      1  -0.176627D+01  0.387903D+01 -0.230593D+01  0.317627D+01 -0.551853D+01
      2  -0.155628D+01  0.309132D+01 -0.783956D+00  0.202829D+01 -0.289672D+01
      3  -0.116242D+00 -0.448107D+00  0.235268D+01  0.135031D+01  0.291550D+00
               106           107           108           109           110 
      1   0.349866D+01 -0.269347D+01  0.909051D+01 -0.128383D+01 -0.663112D-01
      2   0.202634D+00 -0.266247D+01  0.552984D+01 -0.295710D+01 -0.199543D+01
      3  -0.243464D+01 -0.966456D+00 -0.837696D+00  0.624538D+01  0.362897D+01
               111           112           113           114           115 
      1  -0.245656D+01 -0.908054D+00  0.757628D-01 -0.391246D+01 -0.501897D+00
      2  -0.242531D+00 -0.255348D+01 -0.244768D+01 -0.134467D+01 -0.253571D+01
      3   0.327230D+01  0.626400D+01  0.598500D+01  0.334573D+01  0.416815D+01
               116           117           118           119           120 
      1  -0.662011D+00 -0.280326D+01 -0.448285D+01 -0.203985D+01  0.460744D+01
      2  -0.203898D+01 -0.124680D+01  0.108202D+01 -0.362018D+00  0.332276D+01
      3   0.307521D+01  0.256558D+01 -0.777821D+01 -0.274627D+01  0.482693D+01
               121           122           123           124           125 
      1  -0.102604D+01 -0.125375D+01 -0.403191D-01  0.424702D+01  0.172209D+01
      2   0.824138D-01 -0.246277D+00  0.339376D+00 -0.837283D+00 -0.405918D+00
      3  -0.496340D+00 -0.139104D+01  0.126902D+01  0.526370D+01  0.243536D+01
               126           127           128           129           130 
      1  -0.455247D+01 -0.276385D+01  0.480987D+01  0.199507D+01  0.469289D+01
      2  -0.267760D+01 -0.295837D+01  0.324481D+01  0.127867D+01  0.365834D+01
      3  -0.386270D+01 -0.149952D+01 -0.165506D+01 -0.503886D+00  0.249209D+01
               131           132           133           134           135 
      1  -0.963699D+01 -0.376689D+01  0.111561D+01 -0.119573D+01 -0.190474D+01
      2  -0.450500D+01 -0.238424D+01 -0.177544D+00 -0.134733D+01 -0.102255D+01
      3   0.301138D+01 -0.203468D+00  0.295631D+00  0.401842D+00  0.236268D+00
               136           137           138           139           140 
      1   0.732550D+00 -0.193787D+01 -0.144439D+01  0.163823D+00 -0.137932D+01
      2   0.827303D+01  0.205612D+01 -0.417185D+01  0.221514D+01  0.120733D+01
      3   0.389074D+01 -0.496895D+00 -0.278545D+01  0.176020D+01  0.672662D+00
               141           142           143           144           145 
      1  -0.182071D+00 -0.466706D+00  0.266171D+01  0.243531D+01  0.403361D+01
      2  -0.181162D+01 -0.724585D+01 -0.217715D+01  0.549437D+01 -0.478359D+01
      3  -0.134596D+01 -0.310062D+01 -0.518597D+00  0.265442D+01 -0.298665D+01
               146           147           148           149           150 
      1   0.497276D+01  0.276314D+01  0.389878D+01  0.493407D+01  0.201197D+01
      2  -0.137537D+01 -0.402428D+00 -0.305548D+01 -0.191939D+01  0.162574D+00
      3  -0.430430D+01 -0.263729D+01 -0.148435D+01 -0.379122D+01 -0.198878D+01
               151           152           153 
      1   0.314743D+01  0.415424D+01  0.355369D+01
      2  -0.361484D+01 -0.984290D+00  0.220723D+00
      3  -0.202622D+01 -0.251500D+01 -0.217974D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.534298D+01 -0.300196D+01  0.274332D+01 -0.299646D+01 -0.224927D+01
      2  -0.225608D+01  0.320190D+01 -0.128561D+01  0.320206D+01  0.254644D+01
      3  -0.308689D+01 -0.199939D+00 -0.145771D+01 -0.205597D+00 -0.297162D+00
      4  -0.301081D+01 -0.176467D+01 -0.849306D+00 -0.175423D+01  0.321978D+01
      5   0.272629D+01 -0.854414D+00 -0.260267D+01 -0.862147D+00 -0.127784D+01
      6  -0.854976D+00 -0.129720D+01 -0.203403D+00 -0.128083D+01 -0.376884D+01
                 6             7             8             9            10 
      1  -0.854062D+00  0.273797D+01 -0.842063D+00 -0.308999D+01 -0.605718D+01
      2  -0.375962D+01 -0.127870D+01 -0.375760D+01 -0.290249D+00 -0.349016D+01
      3   0.461368D+01 -0.145927D+01  0.459966D+01  0.338024D+01  0.954734D+01
      4  -0.127870D+01 -0.844653D+00 -0.129227D+01 -0.220039D+00 -0.152384D+01
      5  -0.203538D+00 -0.259283D+01 -0.207527D+00 -0.146950D+01 -0.553312D+01
      6   0.207694D+00 -0.216821D+00  0.196556D+00  0.460869D+01 -0.401547D+01
                11            12            13            14            15 
      1  -0.446855D+01 -0.176512D+01 -0.440951D+01 -0.834618D+01 -0.142531D+02
      2  -0.618852D+01  0.353099D+01 -0.540144D+01  0.500569D+01  0.173528D+01
      3   0.106571D+02 -0.176587D+01  0.981095D+01  0.334049D+01  0.125178D+02
      4  -0.128036D+02 -0.100100D+02 -0.140730D+02  0.239574D+01  0.180996D+01
      5  -0.863232D+01  0.591692D+01 -0.955418D+01  0.711723D+01  0.306310D+01
      6   0.418371D+01  0.878386D+01  0.500366D+01 -0.381540D+01 -0.736106D+01
                16            17            18            19            20 
      1  -0.279654D+01 -0.144957D+02  0.139727D+02 -0.904960D+01 -0.934283D+01
      2   0.296407D+01  0.223404D+01 -0.100632D+01  0.276027D+01  0.664117D+01
      3  -0.167532D+00  0.122616D+02 -0.129664D+02  0.628932D+01  0.270166D+01
      4  -0.111769D+02  0.442855D+00 -0.114508D+01 -0.419953D+01  0.141643D+01
      5   0.596427D+01  0.230980D+01 -0.743867D+00  0.506089D+01  0.714332D+01
      6   0.717934D+01 -0.713759D+01  0.807502D+01  0.640938D+01  0.110101D+02
                21            22            23            24            25 
      1   0.525048D+01 -0.880291D+01  0.141499D+02  0.928804D+01  0.634090D+01
      2   0.888235D+01  0.490214D+01 -0.146577D+02 -0.113080D+02  0.799756D+01
      3  -0.141328D+02  0.390077D+01  0.507804D+00  0.201994D+01 -0.143385D+02
      4   0.109381D+02  0.227195D+01  0.316649D+01  0.468523D+01  0.119897D+02
      5  -0.632295D+01  0.753091D+01  0.393099D+01  0.825666D+01 -0.759791D+01
      6   0.206942D+00  0.971758D+01 -0.768921D+01 -0.179801D+01 -0.942975D-01
                26            27            28            29            30 
      1   0.995224D+01 -0.524060D+01 -0.345298D+01  0.746791D+01  0.111238D+02
      2  -0.109232D+02  0.118060D+02  0.492258D+01 -0.956877D+01 -0.170453D+02
      3   0.970919D+00 -0.656536D+01 -0.146960D+01  0.210086D+01  0.592153D+01
      4   0.509808D+01  0.328206D+00  0.259471D+01 -0.107898D+01 -0.221854D+01
      5   0.675916D+01 -0.949801D+01  0.675279D+01  0.301125D+01 -0.106977D+02
      6  -0.118273D+01  0.798955D+00 -0.556850D+01 -0.134764D+02  0.432968D+01
                31            32            33            34            35 
      1   0.687183D+01  0.561820D+01  0.594220D+01  0.114501D+02  0.502683D+01
      2  -0.845327D+01 -0.278558D+01 -0.484980D+00 -0.168833D+02 -0.172968D+00
      3   0.158143D+01 -0.283263D+01 -0.545722D+01  0.543324D+01 -0.485387D+01
      4  -0.206551D+00 -0.103370D+02 -0.114574D+02 -0.143148D+01 -0.123942D+02
      5   0.471492D+01 -0.670415D+01  0.818664D+00 -0.110032D+02  0.227406D+01
      6  -0.123759D+02  0.217449D+01 -0.898395D+01  0.526510D+01 -0.100625D+02
                36            37            38            39            40 
      1  -0.195520D+01  0.280540D+01  0.183156D+01 -0.104692D+02  0.181301D+01
      2  -0.281604D+01  0.431048D+01  0.139806D+02  0.269432D+01  0.138226D+02
      3   0.477124D+01 -0.711588D+01 -0.158122D+02  0.777488D+01 -0.156356D+02
      4   0.844694D+01 -0.138896D+01 -0.801987D+01  0.120889D-01 -0.849737D+01
      5   0.156785D+00 -0.212926D+01 -0.279246D+01 -0.106350D+02 -0.395948D+01
      6   0.301914D+01  0.190910D+01 -0.364319D+01 -0.136589D+02 -0.428336D+01
                41            42            43            44            45 
      1  -0.291512D+01 -0.226564D+01 -0.108395D+02 -0.177989D+01  0.473250D+00
      2  -0.755536D+01  0.436472D+01  0.397477D+01  0.317140D+01  0.349110D+01
      3   0.104705D+02 -0.209908D+01  0.686476D+01 -0.139151D+01 -0.396435D+01
      4   0.961447D+01  0.302093D+01 -0.657476D+00  0.492264D+01 -0.793947D+01
      5  -0.627655D+01 -0.124787D+02 -0.912524D+01 -0.116717D+02  0.788212D+01
      6   0.364201D+01  0.609792D+00 -0.126719D+02  0.853428D+00 -0.490921D+01
                46            47            48            49            50 
      1  -0.175207D+01  0.334445D+01 -0.579878D+01  0.282408D+01 -0.606163D+01
      2  -0.450833D+00 -0.965755D+00 -0.156452D+01 -0.761305D+00  0.234950D+01
      3   0.220290D+01 -0.237869D+01  0.736330D+01 -0.206277D+01  0.371213D+01
      4  -0.689491D+00  0.229773D+01 -0.239198D+00  0.374712D+01  0.235718D+01
      5   0.285348D+01 -0.772447D+00  0.306225D+01 -0.157320D+01 -0.276642D+01
      6  -0.196420D+01  0.288053D+01 -0.395359D+01  0.239787D+00 -0.892117D+01
                51            52            53            54            55 
      1   0.950033D+01 -0.415042D+01  0.918303D+01 -0.201939D+02  0.131219D+02
      2  -0.793305D-01  0.102728D+01 -0.535448D-01 -0.104709D+02 -0.741741D+01
      3  -0.942100D+01  0.312314D+01 -0.912948D+01  0.306648D+02 -0.570447D+01
      4  -0.294424D+01 -0.681806D+00 -0.340813D+01  0.362014D+01 -0.801948D+01
      5   0.362655D+01  0.543067D+01  0.305852D+01 -0.927501D+01 -0.966520D+01
      6   0.119493D+02 -0.146127D+01  0.115189D+02 -0.156445D+02  0.488017D+01
                56            57            58            59            60 
      1  -0.592906D+01 -0.316105D+01 -0.871702D+01  0.314465D+01  0.149010D+01
      2   0.450369D+01  0.395847D+01  0.582100D+01  0.674321D+00 -0.386619D+01
      3   0.142537D+01 -0.797417D+00  0.289602D+01 -0.381897D+01  0.237610D+01
      4   0.105611D+02  0.414204D+01  0.121123D+02 -0.156414D+02 -0.510603D+01
      5   0.689606D+01  0.697871D+01  0.101059D+02 -0.786040D+01 -0.867334D+01
      6  -0.522816D+01 -0.342434D+01 -0.645670D+01  0.120360D+02  0.739250D+01
                61            62            63            64            65 
      1  -0.174019D+01  0.165193D+01 -0.127646D+01  0.224914D+02  0.927802D+01
      2   0.362214D+01 -0.277091D+01 -0.385506D+01 -0.619977D+01  0.770057D+00
      3  -0.188196D+01  0.111897D+01  0.513152D+01 -0.162917D+02 -0.100481D+02
      4   0.360459D+01 -0.351644D+01 -0.360738D+01  0.150452D+02  0.135408D+02
      5   0.683392D+01 -0.560174D+01 -0.677314D+01 -0.191569D+01 -0.599864D-01
      6  -0.384320D+01  0.646121D+01  0.313430D+01 -0.159192D+01 -0.280392D+01
                66            67            68            69            70 
      1   0.398025D+01  0.103796D+02  0.512901D+01  0.311293D+01  0.803548D+01
      2  -0.169777D+00  0.877316D+00  0.576503D+01  0.173753D+01 -0.204261D+01
      3  -0.381047D+01 -0.112570D+02 -0.108940D+02 -0.485045D+01 -0.599287D+01
      4   0.350870D+01  0.149850D+02  0.140910D+02  0.226381D+01  0.619123D+01
      5   0.452479D+01 -0.928197D+00 -0.109653D+01  0.353737D+01  0.349394D+01
      6   0.499917D+00 -0.270106D+01 -0.196165D+01  0.345447D+01  0.618587D+00
                71            72            73            74            75 
      1   0.342678D+01  0.142760D+01  0.746727D+01 -0.457874D+00  0.354644D+01
      2   0.206962D+01 -0.138755D+00 -0.825326D+01  0.157196D+01 -0.873271D+01
      3  -0.549641D+01 -0.128885D+01  0.785991D+00 -0.111408D+01  0.518627D+01
      4   0.528681D+01  0.372151D+01  0.142963D+01  0.281592D+01 -0.519613D+00
      5   0.263492D+01  0.441580D+01  0.989163D+01 -0.283695D+01  0.128114D+02
      6   0.232067D+01  0.101722D+01  0.318253D+00  0.302234D+00  0.202563D+01
                76            77            78            79            80 
      1  -0.248276D+01 -0.151341D+01 -0.601884D+00  0.362199D+01 -0.163668D+01
      2   0.339428D+01 -0.973638D+00  0.708572D+01 -0.100739D+02  0.576124D+01
      3  -0.911517D+00  0.248705D+01 -0.648384D+01  0.645188D+01 -0.412456D+01
      4   0.208996D+01 -0.361155D+01  0.275352D+01  0.378126D+00  0.359141D+01
      5  -0.566236D+01  0.324936D+01 -0.678170D+01  0.143772D+02 -0.329094D+01
      6   0.599204D+00 -0.232029D+01  0.351364D+01  0.231263D+01  0.489836D+01
                81            82            83            84            85 
      1  -0.328717D+01  0.259575D+02  0.590754D+01 -0.796414D+01  0.400915D+01
      2  -0.189770D+02 -0.810869D+01  0.122111D+01  0.788265D+00  0.186106D+01
      3   0.222641D+02 -0.178488D+02 -0.712865D+01  0.717587D+01 -0.587021D+01
      4   0.315153D-01  0.172311D+02  0.104496D+02 -0.595639D+01  0.927793D+01
      5   0.211652D+02 -0.398854D+01 -0.139594D+01  0.748322D+01 -0.125622D+01
      6   0.442926D+01 -0.391596D+01 -0.195295D+01  0.435663D+01 -0.244431D+01
                86            87            88            89            90 
      1   0.819675D+00 -0.183864D+01 -0.114202D+02 -0.208575D+01  0.508755D+01
      2   0.451545D+01 -0.163175D+00  0.240339D+01 -0.160350D+01 -0.317499D+01
      3  -0.533513D+01  0.200182D+01  0.901685D+01  0.368925D+01 -0.191256D+01
      4   0.657135D+01 -0.403302D+01 -0.929580D+01 -0.692946D+01  0.466914D+01
      5  -0.185538D+01  0.567033D+00  0.735297D+01  0.152460D+01 -0.669549D+01
      6  -0.391805D+00  0.306354D+01  0.435847D+01  0.307051D+01 -0.574474D+01
                91            92            93            94            95 
      1  -0.196810D+01  0.819202D+01  0.244301D+01  0.632647D+01 -0.220627D+02
      2   0.380153D+01 -0.101649D+02 -0.207893D+01 -0.600613D+01  0.324260D+02
      3  -0.183344D+01  0.197290D+01 -0.364085D+00 -0.320334D+00 -0.103633D+02
      4  -0.375110D+01  0.408887D+01  0.239020D+00  0.561526D+01  0.430466D+01
      5  -0.306440D+01  0.172146D+01  0.206990D+01  0.223230D+01 -0.324487D+00
      6   0.224086D+01 -0.628328D+01 -0.450174D+01 -0.322258D+01  0.176673D+02
                96            97            98            99           100 
      1  -0.798741D+01  0.110097D+01 -0.715970D+01 -0.498731D+01  0.465048D+01
      2   0.714953D+01 -0.175019D+01  0.583398D+01  0.202469D+01  0.266879D+00
      3   0.837886D+00  0.649217D+00  0.132572D+01  0.296262D+01 -0.491736D+01
      4   0.115693D+01  0.446963D-01  0.950949D+00  0.301136D+00 -0.881703D+01
      5   0.538513D+00  0.294006D+01 -0.164214D+00  0.152544D+01  0.343194D+01
      6   0.108639D+02 -0.186686D+01  0.102617D+02  0.681836D+01 -0.364994D+01
               101           102           103           104           105 
      1  -0.191449D+01  0.109980D+01 -0.968446D+00 -0.550672D+01  0.174912D+01
      2  -0.294528D+01  0.248189D+01 -0.355836D+01  0.135792D+02 -0.649480D+01
      3   0.485977D+01 -0.358169D+01  0.452680D+01 -0.807244D+01  0.474568D+01
      4   0.869123D+01 -0.550223D+01  0.777723D+01 -0.888025D+01  0.692091D+01
      5  -0.310354D+01  0.674743D+01 -0.250076D+01  0.420200D+01 -0.360926D+01
      6   0.451137D+01 -0.518507D+01  0.471237D+01 -0.781048D+01  0.967348D+01
               106           107           108           109           110 
      1   0.195715D+01  0.361846D+01 -0.260115D+01 -0.258702D+01 -0.859460D+01
      2   0.256454D+01 -0.100553D+02  0.299427D+01  0.420586D+01  0.129518D+02
      3  -0.452168D+01  0.643679D+01 -0.393114D+00 -0.161884D+01 -0.435715D+01
      4  -0.847394D+01  0.100299D+02 -0.790188D+01  0.895441D+01  0.731481D+01
      5   0.714421D+01 -0.490495D+01  0.933252D+01  0.293715D+01  0.184474D+01
      6  -0.615208D+01  0.113933D+02 -0.156223D+02  0.533029D+01  0.835413D+01
               111           112           113           114           115 
      1  -0.542492D+01 -0.615667D+01 -0.158534D+02 -0.773179D+01 -0.465243D+01
      2   0.423639D+01  0.809982D+01  0.238831D+02  0.760317D+01  0.378522D+01
      3   0.118853D+01 -0.194315D+01 -0.802963D+01  0.128624D+00  0.867212D+00
      4   0.391202D+01  0.702890D+01  0.498963D+01  0.298274D+01  0.403115D+01
      5   0.364226D+01  0.130677D+01  0.155565D+01  0.201218D-01  0.418648D+01
      6   0.652916D+01  0.567212D+01  0.127229D+02  0.107472D+02  0.371970D+01
               116           117           118           119           120 
      1  -0.860137D+01 -0.705747D+01  0.185737D+02  0.323519D+00 -0.751307D+01
      2   0.824077D+01  0.403666D+01 -0.134404D+02 -0.238410D+01  0.968578D+01
      3   0.360604D+00  0.302081D+01 -0.513337D+01  0.206058D+01 -0.217270D+01
      4   0.268205D+01  0.148609D+01 -0.118584D+02  0.624521D+01  0.626428D+01
      5   0.427392D+00  0.115328D+01 -0.158047D+02  0.802247D+00  0.133315D+02
      6   0.120308D+02  0.990545D+01  0.661501D+01 -0.166536D+01 -0.667523D+01
               121           122           123           124           125 
      1   0.277639D+01  0.764648D+00 -0.137659D+01 -0.775068D+01 -0.174753D+01
      2  -0.311867D+01 -0.772934D+00  0.309228D+01  0.995390D+01  0.288334D+01
      3   0.342280D+00  0.828598D-02 -0.171569D+01 -0.220323D+01 -0.113581D+01
      4   0.347442D+01  0.827840D+00 -0.118123D+01  0.711634D+01 -0.252926D+01
      5  -0.189685D+01 -0.188718D+01  0.154700D+01  0.136810D+02 -0.128020D+01
      6  -0.758448D+00  0.770315D-01  0.292269D+01 -0.626041D+01  0.510332D+01
               126           127           128           129           130 
      1   0.196615D+01  0.494119D+01 -0.220187D+01 -0.121547D+00 -0.215076D+01
      2  -0.867152D+01  0.166684D+01 -0.702443D+01 -0.122987D+01 -0.735714D+01
      3   0.670537D+01 -0.660803D+01  0.922630D+01  0.135142D+01  0.950790D+01
      4  -0.601693D+01 -0.103778D+02  0.127108D+02 -0.394524D+00  0.130258D+02
      5  -0.130501D+02  0.479570D+01 -0.379164D+01  0.441291D+01 -0.466990D+01
      6   0.703541D+01 -0.406541D+01  0.612840D+01 -0.124936D+01  0.604220D+01
               131           132           133           134           135 
      1  -0.623652D+01  0.249326D+01 -0.104871D+01  0.551176D+00 -0.498423D+00
      2   0.231921D+02  0.124814D+01 -0.105150D+01  0.392110D+01  0.156660D+01
      3  -0.169556D+02 -0.374141D+01  0.210021D+01 -0.447228D+01 -0.106818D+01
      4  -0.179414D+02  0.460110D+00  0.223194D+01 -0.251028D+01 -0.167033D+01
      5   0.567538D+01 -0.207716D+01  0.257258D+01 -0.931662D+00 -0.113246D+01
      6  -0.132546D+02  0.617354D+01 -0.503776D+00  0.331609D+01  0.774264D+00
               136           137           138           139           140 
      1  -0.230921D+01 -0.354539D+01  0.897128D+01 -0.243591D+01 -0.370292D+01
      2  -0.422331D+01  0.325699D+00  0.538036D+01 -0.347176D+00  0.246634D+01
      3   0.653252D+01  0.321969D+01 -0.143516D+02  0.278309D+01  0.123658D+01
      4   0.636214D+01  0.433870D+01 -0.398912D+01  0.434868D+01  0.811858D+00
      5  -0.125835D+02 -0.286554D+01  0.110803D+02 -0.193532D+01 -0.204172D+01
      6  -0.517790D+01 -0.655068D+01  0.901859D+01 -0.377568D+01 -0.608025D+01
               141           142           143           144           145 
      1   0.470594D+01  0.687498D+01  0.507306D+01 -0.139870D+02  0.984627D+01
      2  -0.134828D+01  0.291754D+01 -0.494158D+00 -0.952355D+01 -0.121055D+02
      3  -0.335766D+01 -0.979252D+01 -0.457890D+01  0.235105D+02  0.225927D+01
      4  -0.227947D+01 -0.337322D+01 -0.181176D+01  0.393225D+01  0.201938D+01
      5   0.290727D+01  0.100274D+02  0.318959D+01 -0.860970D+01  0.162348D+02
      6   0.801508D+01  0.612088D+01  0.779631D+01 -0.110674D+02  0.310123D+01
               146           147           148           149           150 
      1   0.311171D+01  0.305989D+01  0.411982D+01  0.811203D+00 -0.137264D+01
      2  -0.592624D+01 -0.953227D+01 -0.697667D+01 -0.163669D+01 -0.651236D+01
      3   0.281453D+01  0.647238D+01  0.285685D+01  0.825491D+00  0.788500D+01
      4   0.521193D+01  0.662324D+00  0.479310D+01  0.406172D+01  0.222629D+01
      5   0.568590D+01  0.142130D+02  0.890780D+01  0.636003D+01  0.894137D+01
      6   0.553061D+01  0.310116D+01  0.531234D+01  0.769362D+01  0.557247D+01
               151           152           153 
      1   0.227898D+01 -0.134661D+00 -0.276350D+01
      2  -0.813044D+01 -0.428424D+01 -0.110058D+02
      3   0.585146D+01  0.441890D+01  0.137693D+02
      4   0.347551D+00  0.138709D+01  0.196418D+01
      5   0.123310D+02  0.587492D+01  0.116165D+02
      6   0.349597D+01  0.517757D+01  0.337178D+01
 Leave Link  716 at Thu Jan 27 11:53:25 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.660165D+02  0.739953D-04  0.346379D-03
      2   0.739953D-04  0.660159D+02 -0.259312D-03
      3   0.346379D-03 -0.259312D-03  0.660163D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.615534D-03  0.229365D-02 -0.246227D-03
      2  -0.262878D-02  0.169083D-03 -0.916987D-04
      3  -0.819157D-03  0.838734D-03  0.199939D-03
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.401077D+00  0.203968D-01  0.145160D+01
      2   0.184180D+01 -0.112994D+01 -0.529484D+00
      3  -0.144073D+01  0.110954D+01 -0.922114D+00
      4   0.188588D-01  0.184194D+01  0.195452D+01
      5   0.145213D+01  0.195454D+01 -0.143879D+01
      6   0.195494D+01 -0.528523D+00  0.110697D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.105782D+01  0.710120D-01  0.387925D+01  0.694609D-01  0.491265D+01
      2   0.710120D-01  0.491127D+01  0.523020D+01  0.491265D+01 -0.301864D+01
      3   0.387925D+01  0.523020D+01 -0.384760D+01  0.522114D+01 -0.142348D+01
                 6             7             8             9            10 
      1   0.522114D+01  0.387446D+01  0.522395D+01 -0.384390D+01 -0.908322D+00
      2  -0.142348D+01  0.522395D+01 -0.142280D+01  0.295159D+01 -0.872778D-01
      3   0.295264D+01 -0.384390D+01  0.295159D+01 -0.244711D+01 -0.267998D+01
                11            12            13            14            15 
      1  -0.872778D-01 -0.267998D+01  0.188528D+00 -0.472570D+01 -0.402771D+01
      2  -0.371499D+01 -0.403009D+01 -0.472570D+01  0.140862D+01  0.200058D+01
      3  -0.403009D+01  0.328571D+01 -0.402771D+01  0.200058D+01 -0.198766D+01
                16            17            18            19            20 
      1  -0.350865D+01 -0.402797D+01  0.227673D+01  0.244853D+01  0.316666D+00
      2  -0.402797D+01  0.116859D+01 -0.226839D+01  0.316666D+00 -0.396904D+01
      3   0.227673D+01 -0.226839D+01  0.344140D+01 -0.253135D+01 -0.424212D+01
                21            22            23            24            25 
      1  -0.253135D+01 -0.503081D+00 -0.310684D+01 -0.423975D+01 -0.313174D+01
      2  -0.424212D+01 -0.310684D+01  0.385073D+01  0.133268D+01 -0.424033D+01
      3   0.264741D+01 -0.423975D+01  0.133268D+01 -0.224950D+01  0.350830D+01
                26            27            28            29            30 
      1  -0.424033D+01  0.350830D+01  0.223645D+01 -0.971715D+00 -0.307124D+01
      2   0.724866D+00 -0.142591D+01 -0.971715D+00 -0.426832D+01 -0.403415D+01
      3  -0.142591D+01  0.320530D+01 -0.307124D+01 -0.403415D+01  0.285611D+01
                31            32            33            34            35 
      1   0.158979D+00 -0.363959D+01 -0.403530D+01 -0.273619D+01 -0.403491D+01
      2  -0.363959D+01  0.625921D+00  0.107339D+01 -0.403491D+01  0.141182D+01
      3  -0.403530D+01  0.107339D+01 -0.227800D+01  0.348995D+01 -0.341139D+01
                36            37            38            39            40 
      1   0.348995D+01 -0.448465D+00  0.544076D+00 -0.389617D+01 -0.428286D-01
      2  -0.341139D+01  0.544076D+00 -0.347793D+01 -0.411752D+01 -0.396566D+01
      3   0.870165D+00 -0.389617D+01 -0.411752D+01  0.329556D+01 -0.411473D+01
                41            42            43            44            45 
      1  -0.396566D+01 -0.411473D+01 -0.279787D+01 -0.411663D+01  0.280400D+01
      2   0.357869D+01  0.602797D-01 -0.411663D+01  0.116270D+01 -0.217421D+01
      3   0.602797D-01 -0.276678D+01  0.280400D+01 -0.217421D+01  0.175641D+00
                46            47            48            49            50 
      1  -0.734050D+00  0.460730D+00 -0.660130D+00  0.680194D+00  0.274848D+00
      2   0.460730D+00 -0.513074D+00  0.102650D+01  0.274848D+00  0.187826D+01
      3  -0.660130D+00  0.102650D+01 -0.222743D+01  0.362005D+00 -0.215545D+01
                51            52            53            54            55 
      1   0.362005D+00 -0.997619D+00  0.407063D+00 -0.357972D+00  0.329435D+01
      2  -0.215545D+01  0.407063D+00 -0.203638D+01  0.259633D+01 -0.187520D+01
      3   0.279618D+01 -0.357972D+00  0.259633D+01 -0.722307D+01 -0.106797D+01
                56            57            58            59            60 
      1  -0.187520D+01 -0.106797D+01 -0.326833D+01  0.287278D+01  0.180161D+01
      2   0.212730D+01  0.106994D+01  0.287278D+01 -0.451605D+01 -0.175474D+01
      3   0.106994D+01  0.844858D+00  0.180161D+01 -0.175474D+01 -0.190421D+01
                61            62            63            64            65 
      1  -0.695321D+00  0.996797D+00  0.963470D+00  0.508141D+01  0.247631D+01
      2   0.996797D+00 -0.111557D+01 -0.954768D+00  0.247631D+01  0.243212D+01
      3   0.963470D+00 -0.954768D+00 -0.175962D+01  0.854808D+00  0.728282D+00
                66            67            68            69            70 
      1   0.854808D+00  0.309044D+01  0.290849D+01  0.661218D+00  0.247626D+01
      2   0.728282D+00  0.290849D+01  0.316925D+01  0.374768D+00  0.141735D+01
      3   0.777702D+00  0.661218D+00  0.374768D+00  0.118784D+01  0.796489D+00
                71            72            73            74            75 
      1   0.141735D+01  0.796489D+00 -0.236454D+01  0.322147D+00 -0.170801D+01
      2   0.127621D+01  0.997895D+00  0.322147D+00 -0.241718D+00  0.661547D+00
      3   0.997895D+00  0.914012D+00 -0.170801D+01  0.661547D+00 -0.225591D+01
                76            77            78            79            80 
      1   0.134252D+01 -0.339840D+00  0.138850D+01 -0.216476D+01  0.584601D+00
      2  -0.339840D+00  0.832798D+00 -0.121000D+01  0.584601D+00 -0.139673D+01
      3   0.138850D+01 -0.121000D+01  0.234583D+01 -0.298743D+01  0.885075D+00
                81            82            83            84            85 
      1  -0.298743D+01 -0.623215D+01 -0.196695D+01  0.195317D+01 -0.121187D+01
      2   0.885075D+00 -0.196695D+01 -0.135064D+01  0.866379D+00 -0.111984D+01
      3  -0.653184D+01  0.195317D+01  0.866379D+00 -0.187995D+01  0.807219D+00
                86            87            88            89            90 
      1  -0.111984D+01  0.807219D+00  0.354617D+01  0.156373D+01 -0.209512D+01
      2  -0.157689D+01  0.503704D+00  0.156373D+01  0.137812D+01 -0.629714D+00
      3   0.503704D+00 -0.301106D+00 -0.209512D+01 -0.629714D+00  0.191749D+01
                91            92            93            94            95 
      1   0.106332D+01 -0.124281D+01 -0.223175D+00 -0.137771D+01  0.117255D+01
      2  -0.124281D+01  0.302054D+01  0.122036D+01  0.117255D+01 -0.758122D+01
      3  -0.223175D+00  0.122036D+01  0.783586D+00  0.555181D+00 -0.221327D+01
                96            97            98            99           100 
      1   0.555181D+00 -0.155432D+00  0.600921D+00  0.149580D-01 -0.209128D+01
      2  -0.221327D+01  0.600921D+00 -0.169252D+01 -0.141334D+01  0.146938D+01
      3  -0.155855D+01  0.149580D-01 -0.141334D+01 -0.155022D+01 -0.102243D+01
               101           102           103           104           105 
      1   0.146938D+01 -0.102243D+01  0.109846D+01 -0.105472D+01  0.108857D+01
      2  -0.108108D+01  0.115076D+01 -0.105472D+01  0.308098D+01 -0.181724D+01
      3   0.115076D+01 -0.152481D+01  0.108857D+01 -0.181724D+01  0.180574D+01
               106           107           108           109           110 
      1  -0.186158D+01  0.184789D+01 -0.194756D+01  0.210289D+01  0.178458D+01
      2   0.184789D+01 -0.338089D+01  0.259786D+01  0.178458D+01  0.362548D+01
      3  -0.194756D+01  0.259786D+01 -0.414418D+01  0.129555D+01  0.165854D+01
               111           112           113           114           115 
      1   0.129555D+01  0.140772D+01  0.180496D+01  0.996516D+00  0.124339D+01
      2   0.165854D+01  0.180496D+01  0.492860D+01  0.184261D+01  0.104043D+01
      3   0.133623D+01  0.996516D+00  0.184261D+01  0.174112D+01  0.598874D+00
               116           117           118           119           120 
      1   0.104043D+01  0.598874D+00 -0.559659D+01  0.631562D+00  0.303474D+01
      2   0.223588D+01  0.214358D+01  0.631562D+00 -0.907188D+00  0.135347D-01
      3   0.214358D+01  0.206820D+01  0.303474D+01  0.135347D-01 -0.277728D+01
               121           122           123           124           125 
      1  -0.869560D+00 -0.366048D+00  0.739154D+00  0.325599D+01 -0.623350D-01
      2  -0.366048D+00 -0.334050D+00  0.450040D+00 -0.623350D-01  0.944225D+00
      3   0.739154D+00  0.450040D+00 -0.421050D+00 -0.287592D+01  0.639867D+00
               126           127           128           129           130 
      1  -0.287592D+01  0.248242D+01 -0.222037D+01  0.498360D+00 -0.236866D+01
      2   0.639867D+00 -0.222037D+01  0.290318D+01  0.144185D+00  0.307664D+01
      3   0.335598D+01  0.498360D+00  0.144185D+00  0.483992D+00  0.784197D-01
               131           132           133           134           135 
      1   0.307664D+01  0.784197D-01 -0.439796D+00  0.837618D+00  0.201116D+00
      2  -0.682450D+01  0.402974D+00  0.837618D+00 -0.125507D+01 -0.571650D+00
      3   0.402974D+00 -0.115178D+01  0.201116D+00 -0.571650D+00 -0.446364D+00
               136           137           138           139           140 
      1  -0.319269D+01 -0.969583D+00  0.265694D+01 -0.640675D+00 -0.467218D+00
      2  -0.969583D+00 -0.118648D+01  0.153878D+01 -0.467218D+00 -0.137370D+01
      3   0.265694D+01  0.153878D+01 -0.408280D+01  0.872165D+00  0.121101D+01
               141           142           143           144           145 
      1   0.872165D+00  0.207990D+01  0.916680D+00 -0.227935D+01  0.391653D+01
      2   0.121101D+01  0.916680D+00  0.107622D+01 -0.120360D+01  0.125745D+01
      3  -0.886764D+00 -0.227935D+01 -0.120360D+01  0.495957D+01  0.268764D+01
               146           147           148           149           150 
      1   0.125745D+01  0.268764D+01  0.224640D+01  0.176253D+01  0.184578D+01
      2   0.169057D+01  0.111487D+01  0.176253D+01  0.187120D+01  0.132215D+01
      3   0.111487D+01  0.228463D+01  0.184578D+01  0.132215D+01  0.267605D+01
               151           152           153 
      1   0.201279D+01  0.104515D+01  0.173336D+01
      2   0.104515D+01  0.921315D+00  0.124079D+01
      3   0.173336D+01  0.124079D+01  0.319464D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.114860D-01  0.488384D-03  0.462745D-02  0.765551D-03 -0.153472D-01
      2   0.876091D-02  0.127640D-01  0.490743D+01  0.138272D-01  0.383881D-02
      3  -0.223117D-01 -0.490456D+01 -0.469560D-02  0.490958D+01 -0.215914D-01
                 6             7             8             9            10 
      1  -0.490584D+01  0.178703D-01  0.490501D+01 -0.753419D-02  0.114234D+01
      2   0.731132D-02 -0.490462D+01 -0.725841D-02  0.541779D-02 -0.674842D+01
      3  -0.389314D-02  0.439014D-02 -0.468019D-02 -0.123189D-01 -0.904369D+00
                11            12            13            14            15 
      1   0.658044D+01  0.359279D+01  0.821302D+01 -0.182202D+01 -0.424987D+01
      2  -0.602736D+01  0.335545D+01 -0.557813D+01 -0.264090D+01 -0.762277D+01
      3   0.413579D+01  0.488456D+01  0.982233D+01 -0.310098D+01 -0.556938D+01
                16            17            18            19            20 
      1   0.414781D+01  0.806917D+00  0.698965D+00 -0.313550D+01 -0.198298D+01
      2  -0.351152D+01 -0.817141D+01  0.937360D+01  0.626395D+01  0.601327D+01
      3   0.443092D+01 -0.394417D+01  0.402301D+01 -0.408705D+01 -0.716019D+01
                21            22            23            24            25 
      1   0.717050D+01 -0.299334D+01 -0.287930D+01 -0.535735D+01  0.854738D+01
      2  -0.358848D+01  0.504724D+01 -0.415768D+01 -0.150719D+01 -0.929033D+01
      3  -0.287591D+01 -0.847015D+00  0.977399D+01  0.715211D+01 -0.190869D+01
                26            27            28            29            30 
      1   0.230464D+00  0.600650D+01  0.432531D+01  0.447708D+01 -0.696024D+01
      2  -0.288579D+01 -0.212257D+01  0.111678D+01  0.450168D+01  0.545864D+00
      3   0.614475D+01 -0.566190D+01  0.433452D+01 -0.851269D+01 -0.882634D+01
                31            32            33            34            35 
      1   0.489003D+01 -0.228433D+01  0.325206D+01 -0.834218D+01  0.951222D+01
      2   0.376106D+01  0.762288D+00  0.449105D+01 -0.401037D+01  0.587162D+01
      3  -0.170157D+01 -0.681057D+01 -0.565472D+01 -0.808683D+01 -0.523996D+01
                36            37            38            39            40 
      1  -0.202268D+01 -0.231660D+01 -0.906567D+01 -0.382255D+01 -0.100996D+02
      2  -0.186391D+01 -0.643377D+00 -0.450582D+01  0.114285D+02 -0.325311D+01
      3   0.247190D+01  0.674697D+00 -0.209303D+00  0.682390D+01  0.447729D+01
                41            42            43            44            45 
      1   0.700102D+01 -0.539321D+01 -0.437939D+01  0.118695D+01 -0.468734D+01
      2   0.603283D+01  0.465119D+01  0.506948D+01  0.520390D+01 -0.540060D+01
      3   0.146514D+00  0.406314D+01  0.557722D+01  0.303783D+01 -0.823449D+00
                46            47            48            49            50 
      1  -0.297974D+00  0.896397D+00  0.924525D-01 -0.370985D+00 -0.213945D+01
      2  -0.275537D+01  0.174125D+01 -0.237214D+01  0.268400D+01 -0.243694D+01
      3  -0.140661D+01 -0.543011D-01 -0.144610D+01  0.141251D+01 -0.198655D+01
                51            52            53            54            55 
      1  -0.643065D-01 -0.406639D+00  0.397368D+01  0.673639D+00  0.249407D+01
      2   0.433098D+01 -0.504961D+01  0.421465D+01 -0.977621D+01  0.246434D+01
      3   0.278317D+01 -0.223856D+01  0.278814D+01 -0.382090D+01  0.271091D+01
                56            57            58            59            60 
      1  -0.371871D+01 -0.751156D+00 -0.350981D+01  0.678975D+01  0.745722D-01
      2  -0.583389D+00  0.156728D+01 -0.195683D+01  0.920829D+00 -0.183394D+01
      3  -0.558233D+01 -0.189439D+01 -0.244315D+01  0.884078D+01  0.259229D+01
                61            62            63            64            65 
      1  -0.153053D+01  0.278300D+01  0.100219D+01 -0.317911D+01 -0.288360D+01
      2  -0.770354D+00  0.477340D-01 -0.155141D+01  0.616458D+01  0.406375D+01
      3  -0.139364D+01  0.264569D+01  0.150633D+01 -0.498118D+00 -0.460569D+01
                66            67            68            69            70 
      1  -0.245511D+01 -0.325855D+01 -0.308058D+01 -0.295356D+01 -0.166675D+01
      2   0.454101D+01  0.409994D+01  0.379890D+01  0.410536D+01  0.224650D+01
      3  -0.898383D+00 -0.867103D+00 -0.418278D+01 -0.517946D+00 -0.208503D+00
                71            72            73            74            75 
      1  -0.804331D+00 -0.225586D+01 -0.204714D+01  0.196971D+01 -0.323680D+01
      2   0.281746D+01  0.316805D+01 -0.735208D+00 -0.629104D+00  0.276538D+01
      3  -0.201140D+01 -0.116127D+01  0.242572D+01 -0.200860D+01  0.265497D+01
                76            77            78            79            80 
      1   0.143035D+01 -0.309572D+01  0.242876D+01 -0.361109D+01  0.534777D+01
      2   0.504923D+00  0.123618D+01 -0.205030D+01 -0.962852D+00 -0.918360D+00
      3  -0.481139D+00  0.198321D+01 -0.265606D+01  0.258149D+01 -0.375058D+01
                81            82            83            84            85 
      1  -0.738624D+01  0.390706D+01  0.117515D+01 -0.391943D+01  0.175676D+01
      2   0.600145D+01 -0.635912D+01 -0.245324D+01  0.680951D+01 -0.202133D+01
      3   0.454445D+01  0.509803D+01 -0.186179D+01 -0.143992D+01  0.137575D+01
                86            87            88            89            90 
      1   0.128980D+01 -0.174469D+01 -0.328549D+01 -0.137062D-01  0.330619D+01
      2  -0.132414D+01  0.167325D+01  0.359444D+01  0.153470D+01 -0.545851D+01
      3  -0.101910D+01 -0.454801D+00 -0.259435D+01  0.124355D+01  0.175963D+01
                91            92            93            94            95 
      1   0.854324D+00 -0.142063D+01  0.941200D+00 -0.574735D+00  0.432012D+01
      2   0.164111D+01 -0.214563D+01  0.171260D+00 -0.286459D+01  0.368752D+01
      3  -0.393944D+01  0.344641D+01  0.129820D+01  0.646398D+01 -0.946089D+01
                96            97            98            99           100 
      1  -0.268527D+01 -0.531788D+00  0.109227D+01 -0.114726D+01  0.202907D+01
      2   0.169034D+01 -0.121189D+01  0.190974D+01  0.132638D+01  0.926604D+00
      3  -0.310168D+01  0.167056D+01 -0.282151D+01 -0.140162D+01 -0.225705D+01
               101           102           103           104           105 
      1  -0.176627D+01  0.387903D+01 -0.230593D+01  0.317627D+01 -0.551853D+01
      2  -0.155628D+01  0.309132D+01 -0.783956D+00  0.202829D+01 -0.289672D+01
      3  -0.116242D+00 -0.448107D+00  0.235268D+01  0.135031D+01  0.291550D+00
               106           107           108           109           110 
      1   0.349866D+01 -0.269347D+01  0.909051D+01 -0.128383D+01 -0.663112D-01
      2   0.202634D+00 -0.266247D+01  0.552984D+01 -0.295710D+01 -0.199543D+01
      3  -0.243464D+01 -0.966456D+00 -0.837696D+00  0.624538D+01  0.362897D+01
               111           112           113           114           115 
      1  -0.245656D+01 -0.908054D+00  0.757628D-01 -0.391246D+01 -0.501897D+00
      2  -0.242531D+00 -0.255348D+01 -0.244768D+01 -0.134467D+01 -0.253571D+01
      3   0.327230D+01  0.626400D+01  0.598500D+01  0.334573D+01  0.416815D+01
               116           117           118           119           120 
      1  -0.662011D+00 -0.280326D+01 -0.448285D+01 -0.203985D+01  0.460744D+01
      2  -0.203898D+01 -0.124680D+01  0.108202D+01 -0.362018D+00  0.332276D+01
      3   0.307521D+01  0.256558D+01 -0.777821D+01 -0.274627D+01  0.482693D+01
               121           122           123           124           125 
      1  -0.102604D+01 -0.125375D+01 -0.403191D-01  0.424702D+01  0.172209D+01
      2   0.824138D-01 -0.246277D+00  0.339376D+00 -0.837283D+00 -0.405918D+00
      3  -0.496340D+00 -0.139104D+01  0.126902D+01  0.526370D+01  0.243536D+01
               126           127           128           129           130 
      1  -0.455247D+01 -0.276385D+01  0.480987D+01  0.199507D+01  0.469289D+01
      2  -0.267760D+01 -0.295837D+01  0.324481D+01  0.127867D+01  0.365834D+01
      3  -0.386270D+01 -0.149952D+01 -0.165506D+01 -0.503886D+00  0.249209D+01
               131           132           133           134           135 
      1  -0.963699D+01 -0.376689D+01  0.111561D+01 -0.119573D+01 -0.190474D+01
      2  -0.450500D+01 -0.238424D+01 -0.177544D+00 -0.134733D+01 -0.102255D+01
      3   0.301138D+01 -0.203468D+00  0.295631D+00  0.401842D+00  0.236268D+00
               136           137           138           139           140 
      1   0.732550D+00 -0.193787D+01 -0.144439D+01  0.163823D+00 -0.137932D+01
      2   0.827303D+01  0.205612D+01 -0.417185D+01  0.221514D+01  0.120733D+01
      3   0.389074D+01 -0.496895D+00 -0.278545D+01  0.176020D+01  0.672662D+00
               141           142           143           144           145 
      1  -0.182071D+00 -0.466706D+00  0.266171D+01  0.243531D+01  0.403361D+01
      2  -0.181162D+01 -0.724585D+01 -0.217715D+01  0.549437D+01 -0.478359D+01
      3  -0.134596D+01 -0.310062D+01 -0.518597D+00  0.265442D+01 -0.298665D+01
               146           147           148           149           150 
      1   0.497276D+01  0.276314D+01  0.389878D+01  0.493407D+01  0.201197D+01
      2  -0.137537D+01 -0.402428D+00 -0.305548D+01 -0.191939D+01  0.162574D+00
      3  -0.430430D+01 -0.263729D+01 -0.148435D+01 -0.379122D+01 -0.198878D+01
               151           152           153 
      1   0.314743D+01  0.415424D+01  0.355369D+01
      2  -0.361484D+01 -0.984290D+00  0.220723D+00
      3  -0.202622D+01 -0.251500D+01 -0.217974D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.534298D+01 -0.300196D+01  0.274332D+01 -0.299646D+01 -0.224927D+01
      2  -0.225608D+01  0.320190D+01 -0.128561D+01  0.320206D+01  0.254644D+01
      3  -0.308689D+01 -0.199939D+00 -0.145771D+01 -0.205597D+00 -0.297162D+00
      4  -0.301081D+01 -0.176467D+01 -0.849306D+00 -0.175423D+01  0.321978D+01
      5   0.272629D+01 -0.854414D+00 -0.260267D+01 -0.862147D+00 -0.127784D+01
      6  -0.854976D+00 -0.129720D+01 -0.203403D+00 -0.128083D+01 -0.376884D+01
                 6             7             8             9            10 
      1  -0.854062D+00  0.273797D+01 -0.842063D+00 -0.308999D+01 -0.605718D+01
      2  -0.375962D+01 -0.127870D+01 -0.375760D+01 -0.290249D+00 -0.349016D+01
      3   0.461368D+01 -0.145927D+01  0.459966D+01  0.338024D+01  0.954734D+01
      4  -0.127870D+01 -0.844653D+00 -0.129227D+01 -0.220039D+00 -0.152384D+01
      5  -0.203538D+00 -0.259283D+01 -0.207527D+00 -0.146950D+01 -0.553312D+01
      6   0.207694D+00 -0.216821D+00  0.196556D+00  0.460869D+01 -0.401547D+01
                11            12            13            14            15 
      1  -0.446855D+01 -0.176512D+01 -0.440951D+01 -0.834618D+01 -0.142531D+02
      2  -0.618852D+01  0.353099D+01 -0.540144D+01  0.500569D+01  0.173528D+01
      3   0.106571D+02 -0.176587D+01  0.981095D+01  0.334049D+01  0.125178D+02
      4  -0.128036D+02 -0.100100D+02 -0.140730D+02  0.239574D+01  0.180996D+01
      5  -0.863232D+01  0.591692D+01 -0.955418D+01  0.711723D+01  0.306310D+01
      6   0.418371D+01  0.878386D+01  0.500366D+01 -0.381540D+01 -0.736106D+01
                16            17            18            19            20 
      1  -0.279654D+01 -0.144957D+02  0.139727D+02 -0.904960D+01 -0.934283D+01
      2   0.296407D+01  0.223404D+01 -0.100632D+01  0.276027D+01  0.664117D+01
      3  -0.167532D+00  0.122616D+02 -0.129664D+02  0.628932D+01  0.270166D+01
      4  -0.111769D+02  0.442855D+00 -0.114508D+01 -0.419953D+01  0.141643D+01
      5   0.596427D+01  0.230980D+01 -0.743867D+00  0.506089D+01  0.714332D+01
      6   0.717934D+01 -0.713759D+01  0.807502D+01  0.640938D+01  0.110101D+02
                21            22            23            24            25 
      1   0.525048D+01 -0.880291D+01  0.141499D+02  0.928804D+01  0.634090D+01
      2   0.888235D+01  0.490214D+01 -0.146577D+02 -0.113080D+02  0.799756D+01
      3  -0.141328D+02  0.390077D+01  0.507804D+00  0.201994D+01 -0.143385D+02
      4   0.109381D+02  0.227195D+01  0.316649D+01  0.468523D+01  0.119897D+02
      5  -0.632295D+01  0.753091D+01  0.393099D+01  0.825666D+01 -0.759791D+01
      6   0.206942D+00  0.971758D+01 -0.768921D+01 -0.179801D+01 -0.942975D-01
                26            27            28            29            30 
      1   0.995224D+01 -0.524060D+01 -0.345298D+01  0.746791D+01  0.111238D+02
      2  -0.109232D+02  0.118060D+02  0.492258D+01 -0.956877D+01 -0.170453D+02
      3   0.970919D+00 -0.656536D+01 -0.146960D+01  0.210086D+01  0.592153D+01
      4   0.509808D+01  0.328206D+00  0.259471D+01 -0.107898D+01 -0.221854D+01
      5   0.675916D+01 -0.949801D+01  0.675279D+01  0.301125D+01 -0.106977D+02
      6  -0.118273D+01  0.798955D+00 -0.556850D+01 -0.134764D+02  0.432968D+01
                31            32            33            34            35 
      1   0.687183D+01  0.561820D+01  0.594220D+01  0.114501D+02  0.502683D+01
      2  -0.845327D+01 -0.278558D+01 -0.484980D+00 -0.168833D+02 -0.172968D+00
      3   0.158143D+01 -0.283263D+01 -0.545722D+01  0.543324D+01 -0.485387D+01
      4  -0.206551D+00 -0.103370D+02 -0.114574D+02 -0.143148D+01 -0.123942D+02
      5   0.471492D+01 -0.670415D+01  0.818664D+00 -0.110032D+02  0.227406D+01
      6  -0.123759D+02  0.217449D+01 -0.898395D+01  0.526510D+01 -0.100625D+02
                36            37            38            39            40 
      1  -0.195520D+01  0.280540D+01  0.183156D+01 -0.104692D+02  0.181301D+01
      2  -0.281604D+01  0.431048D+01  0.139806D+02  0.269432D+01  0.138226D+02
      3   0.477124D+01 -0.711588D+01 -0.158122D+02  0.777488D+01 -0.156356D+02
      4   0.844694D+01 -0.138896D+01 -0.801987D+01  0.120889D-01 -0.849737D+01
      5   0.156785D+00 -0.212926D+01 -0.279246D+01 -0.106350D+02 -0.395948D+01
      6   0.301914D+01  0.190910D+01 -0.364319D+01 -0.136589D+02 -0.428336D+01
                41            42            43            44            45 
      1  -0.291512D+01 -0.226564D+01 -0.108395D+02 -0.177989D+01  0.473250D+00
      2  -0.755536D+01  0.436472D+01  0.397477D+01  0.317140D+01  0.349110D+01
      3   0.104705D+02 -0.209908D+01  0.686476D+01 -0.139151D+01 -0.396435D+01
      4   0.961447D+01  0.302093D+01 -0.657476D+00  0.492264D+01 -0.793947D+01
      5  -0.627655D+01 -0.124787D+02 -0.912524D+01 -0.116717D+02  0.788212D+01
      6   0.364201D+01  0.609792D+00 -0.126719D+02  0.853428D+00 -0.490921D+01
                46            47            48            49            50 
      1  -0.175207D+01  0.334445D+01 -0.579878D+01  0.282408D+01 -0.606163D+01
      2  -0.450833D+00 -0.965755D+00 -0.156452D+01 -0.761305D+00  0.234950D+01
      3   0.220290D+01 -0.237869D+01  0.736330D+01 -0.206277D+01  0.371213D+01
      4  -0.689491D+00  0.229773D+01 -0.239198D+00  0.374712D+01  0.235718D+01
      5   0.285348D+01 -0.772447D+00  0.306225D+01 -0.157320D+01 -0.276642D+01
      6  -0.196420D+01  0.288053D+01 -0.395359D+01  0.239787D+00 -0.892117D+01
                51            52            53            54            55 
      1   0.950033D+01 -0.415042D+01  0.918303D+01 -0.201939D+02  0.131219D+02
      2  -0.793305D-01  0.102728D+01 -0.535448D-01 -0.104709D+02 -0.741741D+01
      3  -0.942100D+01  0.312314D+01 -0.912948D+01  0.306648D+02 -0.570447D+01
      4  -0.294424D+01 -0.681806D+00 -0.340813D+01  0.362014D+01 -0.801948D+01
      5   0.362655D+01  0.543067D+01  0.305852D+01 -0.927501D+01 -0.966520D+01
      6   0.119493D+02 -0.146127D+01  0.115189D+02 -0.156445D+02  0.488017D+01
                56            57            58            59            60 
      1  -0.592906D+01 -0.316105D+01 -0.871702D+01  0.314465D+01  0.149010D+01
      2   0.450369D+01  0.395847D+01  0.582100D+01  0.674321D+00 -0.386619D+01
      3   0.142537D+01 -0.797417D+00  0.289602D+01 -0.381897D+01  0.237610D+01
      4   0.105611D+02  0.414204D+01  0.121123D+02 -0.156414D+02 -0.510603D+01
      5   0.689606D+01  0.697871D+01  0.101059D+02 -0.786040D+01 -0.867334D+01
      6  -0.522816D+01 -0.342434D+01 -0.645670D+01  0.120360D+02  0.739250D+01
                61            62            63            64            65 
      1  -0.174019D+01  0.165193D+01 -0.127646D+01  0.224914D+02  0.927802D+01
      2   0.362214D+01 -0.277091D+01 -0.385506D+01 -0.619977D+01  0.770057D+00
      3  -0.188196D+01  0.111897D+01  0.513152D+01 -0.162917D+02 -0.100481D+02
      4   0.360459D+01 -0.351644D+01 -0.360738D+01  0.150452D+02  0.135408D+02
      5   0.683392D+01 -0.560174D+01 -0.677314D+01 -0.191569D+01 -0.599864D-01
      6  -0.384320D+01  0.646121D+01  0.313430D+01 -0.159192D+01 -0.280392D+01
                66            67            68            69            70 
      1   0.398025D+01  0.103796D+02  0.512901D+01  0.311293D+01  0.803548D+01
      2  -0.169777D+00  0.877316D+00  0.576503D+01  0.173753D+01 -0.204261D+01
      3  -0.381047D+01 -0.112570D+02 -0.108940D+02 -0.485045D+01 -0.599287D+01
      4   0.350870D+01  0.149850D+02  0.140910D+02  0.226381D+01  0.619123D+01
      5   0.452479D+01 -0.928197D+00 -0.109653D+01  0.353737D+01  0.349394D+01
      6   0.499917D+00 -0.270106D+01 -0.196165D+01  0.345447D+01  0.618587D+00
                71            72            73            74            75 
      1   0.342678D+01  0.142760D+01  0.746727D+01 -0.457874D+00  0.354644D+01
      2   0.206962D+01 -0.138755D+00 -0.825326D+01  0.157196D+01 -0.873271D+01
      3  -0.549641D+01 -0.128885D+01  0.785991D+00 -0.111408D+01  0.518627D+01
      4   0.528681D+01  0.372151D+01  0.142963D+01  0.281592D+01 -0.519613D+00
      5   0.263492D+01  0.441580D+01  0.989163D+01 -0.283695D+01  0.128114D+02
      6   0.232067D+01  0.101722D+01  0.318253D+00  0.302234D+00  0.202563D+01
                76            77            78            79            80 
      1  -0.248276D+01 -0.151341D+01 -0.601884D+00  0.362199D+01 -0.163668D+01
      2   0.339428D+01 -0.973638D+00  0.708572D+01 -0.100739D+02  0.576124D+01
      3  -0.911517D+00  0.248705D+01 -0.648384D+01  0.645188D+01 -0.412456D+01
      4   0.208996D+01 -0.361155D+01  0.275352D+01  0.378126D+00  0.359141D+01
      5  -0.566236D+01  0.324936D+01 -0.678170D+01  0.143772D+02 -0.329094D+01
      6   0.599204D+00 -0.232029D+01  0.351364D+01  0.231263D+01  0.489836D+01
                81            82            83            84            85 
      1  -0.328717D+01  0.259575D+02  0.590754D+01 -0.796414D+01  0.400915D+01
      2  -0.189770D+02 -0.810869D+01  0.122111D+01  0.788265D+00  0.186106D+01
      3   0.222641D+02 -0.178488D+02 -0.712865D+01  0.717587D+01 -0.587021D+01
      4   0.315153D-01  0.172311D+02  0.104496D+02 -0.595639D+01  0.927793D+01
      5   0.211652D+02 -0.398854D+01 -0.139594D+01  0.748322D+01 -0.125622D+01
      6   0.442926D+01 -0.391596D+01 -0.195295D+01  0.435663D+01 -0.244431D+01
                86            87            88            89            90 
      1   0.819675D+00 -0.183864D+01 -0.114202D+02 -0.208575D+01  0.508755D+01
      2   0.451545D+01 -0.163175D+00  0.240339D+01 -0.160350D+01 -0.317499D+01
      3  -0.533513D+01  0.200182D+01  0.901685D+01  0.368925D+01 -0.191256D+01
      4   0.657135D+01 -0.403302D+01 -0.929580D+01 -0.692946D+01  0.466914D+01
      5  -0.185538D+01  0.567033D+00  0.735297D+01  0.152460D+01 -0.669549D+01
      6  -0.391805D+00  0.306354D+01  0.435847D+01  0.307051D+01 -0.574474D+01
                91            92            93            94            95 
      1  -0.196810D+01  0.819202D+01  0.244301D+01  0.632647D+01 -0.220627D+02
      2   0.380153D+01 -0.101649D+02 -0.207893D+01 -0.600613D+01  0.324260D+02
      3  -0.183344D+01  0.197290D+01 -0.364085D+00 -0.320334D+00 -0.103633D+02
      4  -0.375110D+01  0.408887D+01  0.239020D+00  0.561526D+01  0.430466D+01
      5  -0.306440D+01  0.172146D+01  0.206990D+01  0.223230D+01 -0.324487D+00
      6   0.224086D+01 -0.628328D+01 -0.450174D+01 -0.322258D+01  0.176673D+02
                96            97            98            99           100 
      1  -0.798741D+01  0.110097D+01 -0.715970D+01 -0.498731D+01  0.465048D+01
      2   0.714953D+01 -0.175019D+01  0.583398D+01  0.202469D+01  0.266879D+00
      3   0.837886D+00  0.649217D+00  0.132572D+01  0.296262D+01 -0.491736D+01
      4   0.115693D+01  0.446963D-01  0.950949D+00  0.301136D+00 -0.881703D+01
      5   0.538513D+00  0.294006D+01 -0.164214D+00  0.152544D+01  0.343194D+01
      6   0.108639D+02 -0.186686D+01  0.102617D+02  0.681836D+01 -0.364994D+01
               101           102           103           104           105 
      1  -0.191449D+01  0.109980D+01 -0.968446D+00 -0.550672D+01  0.174912D+01
      2  -0.294528D+01  0.248189D+01 -0.355836D+01  0.135792D+02 -0.649480D+01
      3   0.485977D+01 -0.358169D+01  0.452680D+01 -0.807244D+01  0.474568D+01
      4   0.869123D+01 -0.550223D+01  0.777723D+01 -0.888025D+01  0.692091D+01
      5  -0.310354D+01  0.674743D+01 -0.250076D+01  0.420200D+01 -0.360926D+01
      6   0.451137D+01 -0.518507D+01  0.471237D+01 -0.781048D+01  0.967348D+01
               106           107           108           109           110 
      1   0.195715D+01  0.361846D+01 -0.260115D+01 -0.258702D+01 -0.859460D+01
      2   0.256454D+01 -0.100553D+02  0.299427D+01  0.420586D+01  0.129518D+02
      3  -0.452168D+01  0.643679D+01 -0.393114D+00 -0.161884D+01 -0.435715D+01
      4  -0.847394D+01  0.100299D+02 -0.790188D+01  0.895441D+01  0.731481D+01
      5   0.714421D+01 -0.490495D+01  0.933252D+01  0.293715D+01  0.184474D+01
      6  -0.615208D+01  0.113933D+02 -0.156223D+02  0.533029D+01  0.835413D+01
               111           112           113           114           115 
      1  -0.542492D+01 -0.615667D+01 -0.158534D+02 -0.773179D+01 -0.465243D+01
      2   0.423639D+01  0.809982D+01  0.238831D+02  0.760317D+01  0.378522D+01
      3   0.118853D+01 -0.194315D+01 -0.802963D+01  0.128624D+00  0.867212D+00
      4   0.391202D+01  0.702890D+01  0.498963D+01  0.298274D+01  0.403115D+01
      5   0.364226D+01  0.130677D+01  0.155565D+01  0.201218D-01  0.418648D+01
      6   0.652916D+01  0.567212D+01  0.127229D+02  0.107472D+02  0.371970D+01
               116           117           118           119           120 
      1  -0.860137D+01 -0.705747D+01  0.185737D+02  0.323519D+00 -0.751307D+01
      2   0.824077D+01  0.403666D+01 -0.134404D+02 -0.238410D+01  0.968578D+01
      3   0.360604D+00  0.302081D+01 -0.513337D+01  0.206058D+01 -0.217270D+01
      4   0.268205D+01  0.148609D+01 -0.118584D+02  0.624521D+01  0.626428D+01
      5   0.427392D+00  0.115328D+01 -0.158047D+02  0.802247D+00  0.133315D+02
      6   0.120308D+02  0.990545D+01  0.661501D+01 -0.166536D+01 -0.667523D+01
               121           122           123           124           125 
      1   0.277639D+01  0.764648D+00 -0.137659D+01 -0.775068D+01 -0.174753D+01
      2  -0.311867D+01 -0.772934D+00  0.309228D+01  0.995390D+01  0.288334D+01
      3   0.342280D+00  0.828598D-02 -0.171569D+01 -0.220323D+01 -0.113581D+01
      4   0.347442D+01  0.827840D+00 -0.118123D+01  0.711634D+01 -0.252926D+01
      5  -0.189685D+01 -0.188718D+01  0.154700D+01  0.136810D+02 -0.128020D+01
      6  -0.758448D+00  0.770315D-01  0.292269D+01 -0.626041D+01  0.510332D+01
               126           127           128           129           130 
      1   0.196615D+01  0.494119D+01 -0.220187D+01 -0.121547D+00 -0.215076D+01
      2  -0.867152D+01  0.166684D+01 -0.702443D+01 -0.122987D+01 -0.735714D+01
      3   0.670537D+01 -0.660803D+01  0.922630D+01  0.135142D+01  0.950790D+01
      4  -0.601693D+01 -0.103778D+02  0.127108D+02 -0.394524D+00  0.130258D+02
      5  -0.130501D+02  0.479570D+01 -0.379164D+01  0.441291D+01 -0.466990D+01
      6   0.703541D+01 -0.406541D+01  0.612840D+01 -0.124936D+01  0.604220D+01
               131           132           133           134           135 
      1  -0.623652D+01  0.249326D+01 -0.104871D+01  0.551176D+00 -0.498423D+00
      2   0.231921D+02  0.124814D+01 -0.105150D+01  0.392110D+01  0.156660D+01
      3  -0.169556D+02 -0.374141D+01  0.210021D+01 -0.447228D+01 -0.106818D+01
      4  -0.179414D+02  0.460110D+00  0.223194D+01 -0.251028D+01 -0.167033D+01
      5   0.567538D+01 -0.207716D+01  0.257258D+01 -0.931662D+00 -0.113246D+01
      6  -0.132546D+02  0.617354D+01 -0.503776D+00  0.331609D+01  0.774264D+00
               136           137           138           139           140 
      1  -0.230921D+01 -0.354539D+01  0.897128D+01 -0.243591D+01 -0.370292D+01
      2  -0.422331D+01  0.325699D+00  0.538036D+01 -0.347176D+00  0.246634D+01
      3   0.653252D+01  0.321969D+01 -0.143516D+02  0.278309D+01  0.123658D+01
      4   0.636214D+01  0.433870D+01 -0.398912D+01  0.434868D+01  0.811858D+00
      5  -0.125835D+02 -0.286554D+01  0.110803D+02 -0.193532D+01 -0.204172D+01
      6  -0.517790D+01 -0.655068D+01  0.901859D+01 -0.377568D+01 -0.608025D+01
               141           142           143           144           145 
      1   0.470594D+01  0.687498D+01  0.507306D+01 -0.139870D+02  0.984627D+01
      2  -0.134828D+01  0.291754D+01 -0.494158D+00 -0.952355D+01 -0.121055D+02
      3  -0.335766D+01 -0.979252D+01 -0.457890D+01  0.235105D+02  0.225927D+01
      4  -0.227947D+01 -0.337322D+01 -0.181176D+01  0.393225D+01  0.201938D+01
      5   0.290727D+01  0.100274D+02  0.318959D+01 -0.860970D+01  0.162348D+02
      6   0.801508D+01  0.612088D+01  0.779631D+01 -0.110674D+02  0.310123D+01
               146           147           148           149           150 
      1   0.311171D+01  0.305989D+01  0.411982D+01  0.811203D+00 -0.137264D+01
      2  -0.592624D+01 -0.953227D+01 -0.697667D+01 -0.163669D+01 -0.651236D+01
      3   0.281453D+01  0.647238D+01  0.285685D+01  0.825491D+00  0.788500D+01
      4   0.521193D+01  0.662324D+00  0.479310D+01  0.406172D+01  0.222629D+01
      5   0.568590D+01  0.142130D+02  0.890780D+01  0.636003D+01  0.894137D+01
      6   0.553061D+01  0.310116D+01  0.531234D+01  0.769362D+01  0.557247D+01
               151           152           153 
      1   0.227898D+01 -0.134661D+00 -0.276350D+01
      2  -0.813044D+01 -0.428424D+01 -0.110058D+02
      3   0.585146D+01  0.441890D+01  0.137693D+02
      4   0.347551D+00  0.138709D+01  0.196418D+01
      5   0.123310D+02  0.587492D+01  0.116165D+02
      6   0.349597D+01  0.517757D+01  0.337178D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.660162D+02      0.978259D+01      0.108846D+02
   aniso      0.933510D-03      0.138332D-03      0.153915D-03
   xx         0.660165D+02      0.978263D+01      0.108846D+02
   yx         0.739953D-04      0.109650D-04      0.122002D-04
   yy         0.660159D+02      0.978254D+01      0.108845D+02
   zx         0.346379D-03      0.513280D-04      0.571101D-04
   zy        -0.259312D-03     -0.384261D-04     -0.427548D-04
   zz         0.660163D+02      0.978261D+01      0.108846D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199263         -1.77261306          2.27711128
     6         -2.54545343          1.37771083          0.13617663
     6          0.13192763         -1.54554818         -2.44740818
     6          2.15152903          1.94045129          0.03412952
     1         -1.25041329         -3.17768903          2.29985283
     1          0.17452140         -0.71848902          4.05005429
     1          2.06294517         -2.78069274          2.22733021
     1         -4.11526103          0.03703410          0.11598672
     1         -2.78261760          2.65548457         -1.46793627
     1         -2.69011410          2.49703045          1.86485571
     1         -1.38323256         -2.94587511         -2.52154322
     1          1.93017179         -2.54907305         -2.59353798
     1         -0.04999623         -0.32654099         -4.10361464
     1          2.10266955          3.07012064          1.76144199
     1          2.01060407          3.23088344         -1.57120853
     1          3.99110566          1.00827620         -0.06164621

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.660162D+02      0.978259D+01      0.108846D+02
   aniso      0.933510D-03      0.138332D-03      0.153915D-03
   xx         0.660166D+02      0.978266D+01      0.108847D+02
   yx         0.193405D-03      0.286596D-04      0.318881D-04
   yy         0.660161D+02      0.978258D+01      0.108846D+02
   zx         0.286767D-03      0.424945D-04      0.472815D-04
   zy        -0.154221D-03     -0.228532D-04     -0.254276D-04
   zz         0.660159D+02      0.978254D+01      0.108845D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-10\Freq\RB3LYP\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P B3L
 YP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,Ma
 xCyc=120,Tight) Polar=ROA Guess=Read CPHF=RdFreq\\ROA calculations.\\0
 ,1\C,0,-0.000018,0.000032,-0.000037\C,0,1.155022,0.323679,-0.955136\C,
 0,-0.986772,-0.946789,-0.693528\C,0,-0.721704,1.296298,0.387111\C,0,0.
 553456,-0.673191,1.261549\H,0,0.788307,0.805116,-1.864672\H,0,1.687788
 ,-0.584146,-1.247607\H,0,1.874611,0.99823,-0.485358\H,0,-1.396955,-0.4
 91517,-1.597957\H,0,-1.82196,-1.193991,-0.034081\H,0,-0.497996,-1.8808
 17,-0.980249\H,0,-1.126942,1.797626,-0.494914\H,0,-0.040399,1.990713,0
 .884223\H,0,-1.551128,1.094379,1.068868\H,0,1.074043,-1.601281,1.01424
 1\H,0,-0.249965,-0.91551,1.96107\H,0,1.260692,-0.018986,1.776681\\Vers
 ion=ES64L-G16RevA.03\State=1-A\HF=-197.8718569\RMSD=4.288e-09\RMSF=8.1
 17e-06\ZeroPoint=0.1396623\Thermal=0.1473137\Dipole=0.000004,-0.000002
 4,-0.0000029\DipoleDeriv=0.1200269,0.0000028,-0.0000522,-0.0000641,0.1
 199791,0.0000181,0.0000535,0.0000032,0.1199942,0.0309372,-0.0139431,0.
 0412147,-0.0139447,0.0768448,0.0114994,0.0412129,0.0115183,0.0467479,0
 .0444183,-0.0349009,-0.0254936,-0.0348826,0.0472809,-0.0245074,-0.0255
 697,-0.0245488,0.0628128,0.0612797,0.034947,0.0104645,0.0349362,0.0180
 165,-0.0187366,0.0104535,-0.0187415,0.0751499,0.0693022,0.0139096,-0.0
 260949,0.0139163,0.0638241,0.0317239,-0.0260757,0.0316788,0.0213515,0.
 0148064,0.0454316,-0.0822624,0.0171307,0.0163166,0.0948085,-0.0234912,
 0.087868,-0.1126477,-0.0101679,0.0645043,0.0494002,0.1157432,-0.105841
 8,-0.0673798,0.0422205,-0.0270085,0.0345414,-0.056458,-0.089795,-0.026
 5783,-0.1127258,-0.0285454,-0.0440687,-0.0782032,-0.077501,0.003516,0.
 0175028,0.0061987,-0.0695583,0.0413295,0.0065428,0.0995405,-0.0950698,
 0.0503731,-0.1055479,-0.0875018,-0.064562,0.0753088,-0.0416034,0.03949
 19,0.0054028,0.1269393,0.0387946,-0.0334883,-0.0012613,0.1087166,0.031
 098,0.0506419,-0.1214395,-0.0695767,0.0050059,-0.0537603,0.0412109,0.0
 244967,0.0562258,-0.0503213,0.0493738,-0.0085673,0.0515855,-0.083643,0
 .1077179,-0.097419,-0.0401725,-0.1099445,-0.0777071,-0.051837,-0.05405
 67,-0.0671476,-0.0515798,-0.0829143,0.0127244,-0.0799842,0.0032807,0.1
 129697,-0.047947,0.029471,0.0426126,0.1201497,0.002255,-0.0309536,0.00
 60573,0.0977345,0.0003304,0.104588,-0.1139363,-0.0083208,0.0336285,-0.
 0644155,0.0263727,-0.0734563,-0.0469948,0.131193,-0.0186595,0.0461977,
 0.0415201,0.0723963,0.0484525,-0.05427,-0.0398254,-0.0708113,-0.093911
 1,-0.1059955,-0.0315783,-0.0789737,-0.0684276,-0.0297717,-0.0100951\Po
 lar=63.3545608,0.0001212,63.3541323,0.000333,-0.0002641,63.3545492\Qua
 drupole=-0.0000654,0.0000364,0.000029,0.0000017,0.0000088,-0.0000159\P
 G=C01 [X(C5H12)]\NImag=0\\0.48647198,-0.00016835,0.48644060,0.00002094
 ,0.00011916,0.48629119,-0.12862908,-0.01484995,0.04377201,0.50418181,-
 0.01475215,-0.07988626,0.01218280,-0.01864296,0.56566100,0.04371312,0.
 01227704,-0.11186680,0.05515083,0.01540941,0.52532129,-0.11428565,-0.0
 3700582,-0.02711243,-0.02634520,-0.02100441,-0.00853688,0.52215773,-0.
 03705994,-0.11129911,-0.02606276,-0.01135471,-0.00782177,-0.00158782,-
 0.04670395,0.52610450,-0.02713295,-0.02603696,-0.09479733,0.01315527,0
 .01244965,0.00909582,-0.03419896,-0.03281450,0.54682962,-0.09641997,0.
 03709294,0.01107272,-0.01959224,0.02376134,0.01229694,0.00976472,-0.01
 768789,-0.00536501,0.54483872,0.03711342,-0.14241105,-0.01991212,0.002
 23766,0.00367015,-0.00224694,0.00671421,-0.02858589,-0.01113665,0.0468
 2944,0.48687876,0.01106965,-0.01992721,-0.08172129,0.01530863,-0.01920
 301,-0.00914325,0.00561106,-0.01776997,-0.00622842,0.01397540,-0.02505
 924,0.56342880,-0.08785190,0.01480033,-0.02771812,0.00807552,-0.011477
 93,0.02190347,-0.01292597,0.00733038,-0.02371039,-0.00912329,0.0128004
 6,-0.01441986,0.55551486,0.01479471,-0.09370439,0.03367862,0.00043413,
 -0.00513121,0.01103208,-0.00745797,0.00873885,-0.01659189,0.01568037,-
 0.02098750,0.02529738,0.01860285,0.54824540,-0.02763094,0.03365285,-0.
 13875589,-0.00282195,0.01395653,-0.02803664,-0.01299973,0.00409110,-0.
 02090527,-0.00043027,0.00171212,0.00505022,-0.03491975,0.04243135,0.49
 125453,0.00810327,-0.01102329,0.02046595,-0.07874463,0.04017104,-0.075
 68997,0.00144633,0.00015876,0.00073014,0.00123668,-0.00082520,0.000063
 92,-0.00363469,-0.00091314,0.00278745,0.08456750,0.00275654,-0.0047508
 4,0.00552005,0.03942883,-0.09699443,0.09340878,0.00084105,-0.00000176,
 0.00049211,0.00010880,0.00033977,-0.00090784,-0.00189770,-0.00000910,0
 .00049513,-0.04320263,0.10199331,-0.00810586,0.00887563,-0.01819818,-0
 .07415409,0.09326312,-0.22274285,-0.00117654,-0.00065609,0.00053022,-0
 .00138988,0.00062139,0.00040414,0.00483276,0.00025368,-0.00170456,0.08
 026360,-0.10467344,0.24403415,-0.01284825,0.02152799,0.00574176,-0.105
 48270,0.10240114,0.03145971,0.00090562,0.00165838,-0.00004996,-0.00366
 417,-0.00258232,0.00325274,0.00058217,0.00056649,-0.00124834,-0.005923
 62,0.00912215,0.00303866,0.11474688,-0.00345145,0.00459211,0.00182420,
 0.10379346,-0.22867482,-0.05636014,-0.00030249,0.00072559,0.00032965,-
 0.00079954,0.00094324,0.00049846,-0.00039462,0.00052485,0.00008091,0.0
 0571363,-0.01156103,-0.00357393,-0.11377659,0.24802030,0.00924868,-0.0
 1784400,-0.00649844,0.03123951,-0.05525354,-0.06420945,-0.00103850,-0.
 00039498,0.00034312,0.00300289,0.00190197,-0.00262638,0.00016375,-0.00
 150228,0.00085680,-0.01262879,0.02296270,0.00814468,-0.03789669,0.0613
 9389,0.06763781,-0.01715937,-0.01529409,-0.01201489,-0.15537114,-0.102
 66551,-0.07368111,-0.00338126,-0.00012683,0.00464789,0.00073980,-0.001
 01491,-0.00136659,0.00063131,0.00053754,-0.00133262,-0.00756926,-0.006
 60840,-0.00461931,0.01121532,0.00936783,0.00734979,0.17026307,-0.00415
 938,-0.00591533,-0.00333235,-0.10324274,-0.14534062,-0.07010038,-0.000
 92487,0.00029698,0.00200253,0.00091710,0.00047343,-0.00001009,-0.00008
 098,-0.00007402,-0.00086677,0.01006212,0.00978739,0.00601545,-0.018052
 52,-0.01628657,-0.01185205,0.11556372,0.15571378,0.01309514,0.01291564
 ,0.00825513,-0.07503578,-0.07098164,-0.09777830,0.00285336,0.00083999,
 -0.00226345,-0.00030656,0.00070884,0.00076713,0.00054532,0.00031748,0.
 00141833,-0.01649868,-0.01726357,-0.01156665,-0.00495593,-0.00422675,-
 0.00427590,0.07978467,0.07749191,0.10465186,-0.00898759,0.00996877,-0.
 01736309,0.00077928,0.00122552,-0.00095741,-0.08151685,0.04031524,-0.0
 7712704,0.00039691,0.00098059,0.00066745,-0.00271832,-0.00362600,-0.00
 118197,-0.00018335,-0.00058006,0.00058971,-0.00009598,-0.00000234,-0.0
 0002286,0.00032849,-0.00003437,0.00029519,0.08710044,-0.00713681,0.007
 88233,-0.01696855,0.00057080,0.00070948,-0.00052643,0.04123927,-0.0947
 4475,0.09210445,-0.00036460,0.00142485,-0.00055827,-0.00240130,-0.0022
 3912,-0.00173131,0.00004718,0.00008195,0.00019511,-0.00001567,-0.00009
 497,0.00016399,0.00027400,0.00006522,-0.00012019,-0.04292727,0.1012221
 8,-0.00494273,0.00697503,-0.01371255,0.00102483,0.00046930,0.00047856,
 -0.07780606,0.09081221,-0.22212629,0.00013681,0.00124798,0.00014419,-0
 .00206555,-0.00344205,-0.00039047,-0.00027405,-0.00023955,0.00073777,0
 .00000639,-0.00007916,0.00000155,0.00014132,-0.00021848,0.00015597,0.0
 8808567,-0.09982373,0.24215408,-0.01729901,-0.00394313,0.01370837,-0.0
 0206049,-0.00297798,-0.00369375,-0.19466351,-0.04225850,0.11936748,0.0
 0053438,0.00121976,0.00056890,0.00047035,0.00021383,0.00156978,0.00023
 744,-0.00002345,0.00011479,0.00041013,0.00011537,-0.00021080,-0.001094
 18,-0.00070632,0.00093761,0.01025620,0.00241114,-0.00739380,0.21300689
 ,-0.01509556,-0.00560060,0.01327455,-0.00218189,-0.00260513,-0.0026972
 4,-0.04164661,-0.05920690,0.03398171,-0.00069471,0.00090610,0.00131742
 ,0.00081309,0.00032457,0.00072667,0.00027764,0.00010611,-0.00027867,-0
 .00022984,0.00026483,0.00005777,-0.00136698,0.00005381,0.00067236,-0.0
 1098917,-0.00360928,0.00822506,0.04923521,0.06201786,-0.01140595,-0.00
 299015,0.00810459,-0.00189628,-0.00153345,-0.00068369,0.12074507,0.034
 86882,-0.14462892,-0.00036469,0.00038257,0.00053932,-0.00044086,-0.000
 24676,0.00120363,-0.00007859,-0.00031206,0.00020611,-0.00011749,0.0000
 2610,-0.00012524,-0.00054850,-0.00029017,0.00078718,0.02034914,0.00476
 967,-0.01599057,-0.13164978,-0.03666588,0.15556125,0.00900266,-0.01806
 291,-0.00521170,0.00139007,-0.00044561,-0.00041742,-0.10192018,0.10182
 011,0.03091110,-0.00241011,-0.00244874,-0.00175679,0.00092982,-0.00049
 243,0.00056279,-0.00011063,0.00002608,0.00008576,-0.00014655,0.0001704
 3,0.00003969,0.00025098,0.00023022,-0.00006145,-0.00596496,0.00901827,
 0.00332580,-0.01119386,0.02087586,0.00509394,0.10936790,0.01022964,-0.
 01848874,-0.00477647,0.00149854,0.00037097,-0.00007372,0.10026616,-0.2
 3245954,-0.05589103,-0.00446953,-0.00159728,-0.00193334,0.00087619,0.0
 0052767,0.00101762,-0.00003166,-0.00008586,-0.00002847,-0.00095024,0.0
 0034991,0.00039671,-0.00012364,0.00045143,0.00007677,0.00595048,-0.011
 45738,-0.00342540,-0.00327882,0.00717006,0.00165545,-0.10977992,0.2548
 1720,0.00747976,-0.01245689,-0.00531523,0.00048729,0.00080336,0.000192
 08,0.03021128,-0.05546981,-0.06403507,-0.00266548,-0.00138690,-0.00134
 160,0.00115675,-0.00075454,0.00052081,-0.00011043,0.00010773,0.0000027
 7,-0.00015049,0.00014999,0.00042365,-0.00000707,0.00011061,-0.00015434
 ,-0.01246071,0.02308103,0.00808076,0.00865481,-0.01745479,-0.00531939,
 -0.03220387,0.06377085,0.06633519,-0.00714260,0.00639507,-0.01306420,0
 .00045826,-0.00005761,-0.00141194,0.00025648,-0.00101145,-0.00001600,-
 0.08139496,0.04169485,-0.07622955,-0.00136345,0.00268965,0.00185679,-0
 .00010847,0.00002730,0.00072538,0.00022935,-0.00026316,0.00018334,-0.0
 0008856,0.00004541,-0.00004339,0.00049084,0.00003285,0.00025553,0.0000
 1078,-0.00002259,0.00014088,-0.00012577,-0.00010621,0.00011878,0.08574
 000,0.00971480,-0.01323846,0.02356172,-0.00108791,0.00076682,0.0009991
 0,0.00041356,0.00114118,0.00161857,0.04152224,-0.09813983,0.09314163,0
 .00245209,-0.00473957,-0.00297663,0.00027520,0.00040318,-0.00071289,-0
 .00034674,0.00006238,-0.00013946,0.00000729,-0.00000183,-0.00015461,-0
 .00041441,-0.00018773,-0.00088398,-0.00002053,-0.00009476,-0.00003365,
 -0.00008482,0.00043502,-0.00023535,-0.04886973,0.10749711,0.00313321,-
 0.00377811,0.00562006,0.00011550,-0.00041303,0.00077184,0.00036062,-0.
 00017248,0.00057305,-0.07712165,0.09465023,-0.21887943,0.00069874,-0.0
 0102403,0.00075547,-0.00019384,-0.00007335,0.00032276,-0.00013018,0.00
 001445,0.00025885,0.00003010,0.00007671,-0.00009830,0.00017121,0.00019
 015,0.00032251,-0.00010011,0.00001515,-0.00010672,0.00012847,0.0001227
 2,0.00024057,0.08457731,-0.10323661,0.23718813,0.00887522,0.00958671,0
 .00719484,0.00116884,0.00046730,0.00008602,-0.00075166,0.00237808,0.00
 086407,-0.15119913,-0.10308753,-0.07453426,0.00068868,-0.00004471,0.00
 053350,-0.00010506,-0.00007158,0.00003802,0.00024493,-0.00008272,-0.00
 016239,0.00004937,0.00001224,-0.00011695,-0.00009120,0.00004648,0.0001
 7174,0.00014516,0.00029379,-0.00012376,0.00079948,0.00057361,0.0003010
 6,-0.00767297,-0.00672761,-0.00435074,0.16289668,-0.01869099,-0.018198
 77,-0.01248527,-0.00138314,0.00077800,0.00072458,0.00439839,-0.0044690
 0,-0.00081776,-0.10154852,-0.14712947,-0.07241863,-0.00152367,0.000955
 10,-0.00083588,0.00013013,-0.00000021,0.00001703,0.00009981,0.00017307
 ,0.00036182,0.00084639,0.00050322,-0.00017241,0.00003429,0.00025972,-0
 .00012860,0.00019382,0.00028511,0.00023806,-0.00109953,-0.00125629,-0.
 00115161,0.00983587,0.00999251,0.00607946,0.11134355,0.16201701,-0.005
 51874,-0.00479522,-0.00539179,-0.00104733,-0.00012478,0.00003836,0.001
 77386,-0.00136668,-0.00012757,-0.07383771,-0.07284469,-0.10013246,0.00
 016627,0.00091432,0.00032655,-0.00005784,-0.00008314,-0.00008390,0.000
 13643,0.00028674,0.00013219,0.00067465,0.00001411,0.00005340,0.0002497
 1,0.00022219,0.00038057,-0.00025247,-0.00008127,0.00012019,-0.00045165
 ,-0.00069721,0.00020409,-0.01656173,-0.01711475,-0.01166020,0.08166827
 ,0.08218996,0.10553292,-0.01315244,-0.00385091,0.00951662,-0.00068690,
 0.00399528,-0.00001354,0.00046266,-0.00091827,-0.00065944,-0.19389433,
 -0.03869843,0.12089902,0.00017402,-0.00114492,0.00063649,0.00017140,-0
 .00013977,0.00008571,-0.00068102,-0.00000235,0.00104112,0.00045176,0.0
 0003630,-0.00021705,0.00001025,0.00006906,-0.00005733,0.00070632,0.000
 33506,0.00003931,0.00009574,0.00010052,-0.00024813,0.01020607,0.002148
 98,-0.00756604,-0.01524534,-0.00370378,0.01275160,0.21089004,0.0210654
 1,0.00513283,-0.01753990,0.00221424,-0.00482758,-0.00106840,0.00090634
 ,0.00155350,-0.00005860,-0.04004163,-0.05728538,0.03292960,-0.00005595
 ,0.00134923,-0.00098802,-0.00018192,-0.00007123,-0.00013417,0.00147329
 ,0.00044913,-0.00113378,0.00017795,0.00001508,0.00020640,-0.00012035,-
 0.00010565,-0.00000086,-0.00042407,-0.00027254,0.00012996,-0.00003298,
 0.00025464,0.00031591,-0.01119819,-0.00351303,0.00803810,-0.01436514,-
 0.00431701,0.01337806,0.04112349,0.06170475,0.00603125,0.00210012,-0.0
 0677902,0.00023487,-0.00247111,0.00016599,0.00042120,0.00085690,-0.000
 04293,0.12108453,0.03186025,-0.14719241,-0.00085179,0.00040040,0.00044
 923,-0.00025739,-0.00003696,0.00044860,0.00083438,0.00002873,-0.000021
 11,0.00011207,0.00018815,0.00008259,0.00009724,0.00000146,-0.00009336,
 -0.00042028,-0.00062009,0.00015942,-0.00030890,-0.00001116,0.00019933,
 0.02024524,0.00493105,-0.01603385,-0.01169535,-0.00242947,0.01021299,-
 0.13532390,-0.03453538,0.15789698,-0.00722028,0.00992400,0.00344304,0.
 00031255,-0.00081850,0.00053961,0.00016309,0.00074334,0.00097165,-0.00
 057804,0.00038929,-0.00288071,-0.10477070,0.10277211,0.02923825,-0.000
 08249,-0.00014090,-0.00008939,0.00049292,-0.00010576,-0.00008429,0.000
 01117,-0.00009632,-0.00007030,0.00019646,-0.00031920,0.00003670,-0.000
 08960,0.00008390,-0.00000119,0.00001342,-0.00046288,-0.00058728,0.0000
 2672,0.00104246,0.00003982,0.00015639,0.00019800,0.00014762,0.00036053
 ,-0.00032495,-0.00012115,0.11120861,0.00659329,-0.01366612,-0.00422876
 ,0.00028995,0.00012978,-0.00117943,-0.00075976,0.00047801,-0.00081102,
 0.00062862,-0.00024562,0.00392414,0.10295793,-0.23157967,-0.05231943,-
 0.00019545,0.00038336,0.00005599,-0.00055145,0.00036677,0.00071591,0.0
 0005302,-0.00009301,0.00002322,-0.00020160,0.00017638,0.00015164,-0.00
 003255,-0.00000185,0.00006827,0.00019193,0.00073867,0.00031199,0.00084
 518,-0.00080322,-0.00009115,-0.00014870,0.00046820,0.00000781,0.000007
 64,0.00017756,-0.00015584,-0.11546699,0.25258140,-0.01276734,0.0230809
 2,0.00606440,-0.00078675,0.00034982,0.00151030,0.00040544,0.00085408,0
 .00132940,-0.00172389,0.00197290,-0.00452469,0.03012393,-0.05381408,-0
 .06205806,-0.00008643,-0.00029866,0.00024775,0.00032568,-0.00026538,-0
 .00024331,0.00011312,-0.00003801,-0.00010814,0.00033743,-0.00000571,0.
 00017676,-0.00001631,-0.00014725,-0.00009874,0.00001392,-0.00040694,-0
 .00014207,-0.00091894,0.00152532,0.00052365,0.00020862,0.00007602,-0.0
 0007510,-0.00024679,-0.00011529,0.00001020,-0.03109752,0.05657576,0.06
 676237,0.00775159,0.00250357,-0.00751277,0.00012946,0.00083531,-0.0017
 6449,0.00090767,0.00033224,-0.00026763,0.00069945,-0.00017364,-0.00039
 352,-0.19051240,-0.04177376,0.12173566,0.00068899,0.00014286,-0.000308
 68,0.00000497,-0.00007515,-0.00024181,0.00011271,0.00028292,-0.0001108
 8,0.00024533,0.00007744,0.00014301,0.00018354,0.00010744,0.00008420,-0
 .00010445,-0.00008669,0.00001961,0.00021682,-0.00020192,-0.00003539,-0
 .00011017,0.00004380,0.00010070,0.00022712,-0.00017627,-0.00001368,-0.
 01128651,-0.00351720,0.00849688,0.20611606,-0.01128252,-0.00463058,0.0
 0869642,0.00182094,-0.00128482,0.00223076,-0.00013361,0.00016631,-0.00
 089312,-0.00132653,0.00055195,0.00029462,-0.04102797,-0.05916747,0.034
 55539,-0.00067274,0.00027198,0.00092940,-0.00019734,0.00024984,0.00018
 511,0.00034984,0.00017738,-0.00019925,0.00002880,-0.00016223,-0.000086
 65,0.00017915,0.00039577,-0.00009125,0.00014335,-0.00000011,-0.0000605
 0,0.00010556,0.00017944,-0.00029890,-0.00004341,-0.00007992,0.00004811
 ,0.00061562,-0.00014945,-0.00004708,0.02075544,0.00712915,-0.01759621,
 0.04514665,0.06082891,0.02106992,0.00533303,-0.01796817,-0.00380958,0.
 00247403,-0.00419324,0.00171835,0.00018924,0.00091343,0.00096827,-0.00
 119023,0.00074194,0.12018702,0.03474159,-0.14878901,0.00138445,0.00072
 970,-0.00121356,-0.00026996,-0.00015103,0.00029516,0.00003084,0.000123
 85,0.00025912,-0.00020695,-0.00002496,0.00046629,-0.00101656,-0.000364
 64,0.00002795,-0.00004538,-0.00000518,-0.00008562,-0.00022180,-0.00029
 717,0.00015409,-0.00012777,0.00002589,0.00000282,-0.00068794,0.0004318
 2,0.00053548,0.00527933,0.00142621,-0.00518646,-0.13274215,-0.04085020
 ,0.16363810,-0.00920858,-0.00760093,-0.00493907,0.00041661,-0.00001427
 ,0.00101680,-0.00027401,0.00238501,-0.00212023,0.00006559,-0.00114890,
 0.00016452,-0.15416601,-0.10083874,-0.07635514,0.00001058,0.00021087,0
 .00006936,0.00000998,0.00009544,0.00001735,0.00060977,0.00014746,-0.00
 009431,-0.00024597,-0.00062164,-0.00078825,0.00043945,0.00020537,0.000
 17456,0.00012643,-0.00020555,0.00000412,0.00026146,0.00017704,0.000242
 99,0.00015078,0.00082558,0.00005836,-0.00009588,-0.00003928,-0.0000683
 2,0.01108576,0.00930614,0.00761897,-0.01527018,-0.01446123,-0.01151010
 ,0.16608422,0.00952933,0.00774238,0.00644867,0.00045476,0.00048043,-0.
 00024124,0.00116048,-0.00061621,0.00207286,0.00039211,0.00119376,0.000
 38435,-0.10177319,-0.14303362,-0.07300163,0.00021035,0.00010740,-0.000
 16914,-0.00014654,-0.00010462,-0.00001977,0.00002276,0.00017366,-0.000
 13420,0.00039188,0.00077900,0.00044726,0.00009709,-0.00013315,0.000024
 44,-0.00002930,0.00022964,0.00031892,-0.00014279,0.00024078,-0.0000993
 1,-0.00013036,0.00001873,0.00004644,0.00002647,-0.00009486,-0.00005996
 ,-0.01817304,-0.01623979,-0.01174729,-0.00346762,-0.00447618,-0.002591
 94,0.11157762,0.15373264,-0.01735717,-0.01750088,-0.01333069,-0.000936
 98,-0.00137744,0.00107999,-0.00123114,0.00378276,-0.00445939,0.0006675
 6,-0.00128149,0.00071419,-0.07565169,-0.07169126,-0.10119566,0.0001804
 9,0.00017236,0.00043073,0.00002330,0.00002327,-0.00009399,0.00068565,0
 .00068500,-0.00018562,-0.00152271,-0.00096890,-0.00078575,-0.00016787,
 0.00003915,0.00024363,0.00029569,0.00020881,0.00019408,0.00036430,0.00
 000770,0.00004752,0.00004506,0.00072681,0.00046695,0.00005031,0.000144
 55,0.00000187,-0.00476417,-0.00447532,-0.00418826,0.01281096,0.0131833
 4,0.01040168,0.08650841,0.07832154,0.11065874\\-0.00001685,0.00003716,
 -0.00002638,-0.00000136,-0.00000752,-0.00000369,-0.00000473,-0.0000082
 5,0.00001537,0.00000828,-0.00000016,-0.00000344,0.00000213,0.00000141,
 -0.00000097,-0.00000017,-0.00000426,0.00000470,0.00000911,-0.00000407,
 -0.00000189,-0.00000553,-0.00000082,0.00000288,0.00000135,-0.00000144,
 0.00000036,-0.00000328,0.00000129,-0.00000363,0.00000228,0.00000146,0.
 00000056,-0.00000177,0.00000132,0.00000286,-0.00000368,-0.00000154,0.0
 0000115,0.00000835,-0.00000837,0.00000010,0.00000034,-0.00000030,0.000
 00124,0.00000159,-0.00000631,0.00000691,0.00000393,0.00000041,0.000003
 88\\\@


 FORGIVE MY NONSENSE AS I ALSO FORGIVE THOSE WHO THINK THEY TALK SENSE

                                                       -- ROBERT FROST
 Job cpu time:       0 days  0 hours 38 minutes  3.0 seconds.
 Elapsed time:       0 days  0 hours  4 minutes 46.2 seconds.
 File lengths (MBytes):  RWF=    100 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:53:25 2022.
